SCHEMBL8375217

SCHEMBL8375217

CCC(C)(C)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HTT P42858 2/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 6/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
POLB P06746 2/20 0.44
PRKDC P78527 1/20 0.43
GSK3B P49841 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL19749089 0.86 MAPT (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13930909 0.86 MAPT (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13236762 0.85 HRH3 (0.50) MAPTHTTHRH3
SCHEMBL2759512 0.84 HRH3 (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8350197 0.82 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL26764548 0.81 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL270272 0.81 MAPT (0.65) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL19749071 0.81 ADRB1 (0.55) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL16000561 0.79 MAPT (0.63) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8351019 0.78 KDM4E (0.56) MAPTALDH1A1KDM4EHRH3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027072-A1 IMPROVED METHODS, KITS, COMPOSITIONS AND DOSING REGIMENS FOR THE USE OF HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 ASANA BIOSCIENCES, LLC 2023-01-26 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-07-10 US disclosed
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 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 (6 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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 MAPT 2612/4885ALDH1A1 2911/4885MEN1 1213/4885
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF MAPT 480/4885ALDH1A1 2506/4885MEN1 1994/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK MAPT 4045/4885ALDH1A1 4307/4885MEN1 4265/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK MAPT 3269/4885ALDH1A1 2583/4885MEN1 3174/4885
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase TNK1, TNNI3K, TNK2 MAPT 4099/4885ALDH1A1 3704/4885MEN1 3212/4885
US-20230027072-A1 IMPROVED METHODS, KITS, COMPOSITIONS AND DOSING REGIMENS FOR THE USE OF HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 KRAS, NRAS, BRAF MAPT 4372/4885ALDH1A1 1217/4885MEN1 697/4885

“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.