SCHEMBL12403199

SCHEMBL12403199

CC(C)N1CCC2(CCCCN2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KA5 O75582 1/20 0.36
CHEK2 O96017 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
RPS6KA1 Q15418 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9963293 0.94 CYP2D6 (0.36) CHEK1AURKARPS6KA5CHEK2MAPK3
SCHEMBL12257641 0.89 CHRNA1 (0.34) CHEK1AURKARPS6KA5CHEK2MAPK3
SCHEMBL24576856 0.88 CYP2D6 (0.35) CYP2D6KDM4EMEN1ALDH1A1LMNA
SCHEMBL26838126 0.88 CYP2D6 (0.35) CYP2D6KDM4EMEN1ALDH1A1LMNA
SCHEMBL18705150 0.87 CYP2D6 (0.39) CYP2D6KDM4EMEN1ALDH1A1LMNA
SCHEMBL12257649 0.82 CHRNA1 (0.38) CYP2D6
SCHEMBL20975986 0.82 CHEK1 (0.33) CHEK1AURKARPS6KA5CHEK2MAPK3
SCHEMBL12403209 0.82 NAMPT (0.32)
SCHEMBL21469644 0.81
SCHEMBL18969279 0.81 NAMPT (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023215801-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 US disclosed
US-11179397-B2 Imidazopyrimidine derivatives GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11040978-B2 Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-06-22 US disclosed
US-10745400-B2 Inhibition of BMP signaling, compounds, compositions and uses thereof VANDERBUILT UNIVERSITY (US) 2020-08-18 US disclosed
US-20200108071-A1 IMIDAZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-04-09 US disclosed
US-20190315755-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2019-10-17 US disclosed
US-20190284183-A1 INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF LA JOLLA PHARMACEUTICAL COMPANY 2019-09-19 US disclosed
US-20190211020-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-07-11 US disclosed
US-20180208600-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-26 US disclosed
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-9908886-B2 Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-06 US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-20150038506-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-02-05 US disclosed
US-20140371199-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-12-18 US disclosed
US-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US disclosed
US-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150038506-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, NEK2, MKNK2 CHEK1 287/4885AURKA 315/4885RPS6KA5 416/4885
US-20190315755-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, MKNK2, MAP4K2 CHEK1 236/4885AURKA 262/4885RPS6KA5 387/4885
US-20200108071-A1 IMIDAZOPYRIMIDINE DERIVATIVES DPYD, KRAS, ABL1 CHEK1 176/4885AURKA 292/4885RPS6KA5 286/4885
US-11179397-B2 Imidazopyrimidine derivatives DPYD, KRAS, ABL1 CHEK1 176/4885AURKA 292/4885RPS6KA5 286/4885
US-20190211020-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, NEK2, MKNK2 CHEK1 287/4885AURKA 315/4885RPS6KA5 416/4885
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 CHEK1 346/4885AURKA 2414/4885RPS6KA5 1164/4885
US-20180208600-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, MKNK2, MAP4K2 CHEK1 236/4885AURKA 262/4885RPS6KA5 387/4885
US-11040978-B2 Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof MKNK2, MKNK1, MAPKAPK2 CHEK1 205/4885AURKA 356/4885RPS6KA5 417/4885
US-20190284183-A1 INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF BMP1, BMP4, BMP2 CHEK1 2623/4885AURKA 632/4885RPS6KA5 817/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN CHEK1 487/4885AURKA 578/4885RPS6KA5 243/4885
US-20140371199-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, MKNK2, MAP4K2 CHEK1 236/4885AURKA 262/4885RPS6KA5 387/4885
US-10745400-B2 Inhibition of BMP signaling, compounds, compositions and uses thereof BMP1, BMP4, BMP2 CHEK1 2623/4885AURKA 632/4885RPS6KA5 817/4885
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 CHEK1 346/4885AURKA 2414/4885RPS6KA5 1164/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.