SCHEMBL10080930

SCHEMBL10080930

CNC(=O)Cn1cc(C(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
PDK2 Q15119 4/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ACHE P22303 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
BCHE P06276 1/20 0.37
EP300 Q09472 2/20 0.37
PLK1 P53350 1/20 0.37
MAP4K4 O95819 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAP4K1 Q92918 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL21250719 0.87 CCNC (0.41) CCNCCDK8PDK2MAPTMEN1
SCHEMBL19077855 0.85 PDK2 (0.44) PDK2LMNAMEN1KMT2AACHE
SCHEMBL22916887 0.85 PDK2 (0.46) PDK2MAPTMEN1KMT2ANPC1
SCHEMBL10141564 0.83 PDK2 (0.42) PDK2MAPTLMNAMEN1KMT2A
SCHEMBL19321624 0.82 HTT (0.40) PDK2MEN1KMT2ANPC1RAB9A
SCHEMBL15462076 0.82 ACHE (0.38) CCNCCDK8MAPTMEN1KMT2A
SCHEMBL22971645 0.81 SYK (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL15033982 0.81 BCHE (0.42) LMNAMEN1KMT2AACHETSHR
SCHEMBL15592363 0.81 KMT2A (0.43) PDK2MAPTMEN1KMT2ANPC1
SCHEMBL10141502 0.81 ACHE (0.37) PDK2MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017483-A1 AMINOPYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN-KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD (CN) 2022-01-20 US disclosed
US-20220002278-A9 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF SUZHOU INSTITUTE OF MATERIA MEDICA (CN) 2022-01-06 US disclosed
US-20210101891-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-04-08 US disclosed
US-10941152-B2 Pyrazole compounds as modulators of FSHR and uses thereof ARES TRADING S.A. (CH) 2021-03-09 US disclosed
EP-3778573-A1 COMPOUND WITH ANTICANCER ACTIVITY Kyowa Kirin Co., Ltd. (JP) 2021-02-17 EP disclosed
US-20190135823-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. 2019-05-09 US disclosed
US-10208055-B2 Pyrazole compounds as modulators of FSHR and uses thereof TOCOPHERX, INC. (US) 2019-02-19 US disclosed
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2017-09-07 US disclosed
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2017-09-07 US disclosed
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 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 (9 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-10208055-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR CCNC 4056/4885CDK8 532/4885PDK2 180/4885
US-20210101891-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF EP300, HDAC11, HDAC1 CCNC 3704/4885CDK8 465/4885PDK2 891/4885
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CCNC 4056/4885CDK8 532/4885PDK2 180/4885
US-20190135823-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CCNC 3827/4885CDK8 677/4885PDK2 289/4885
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG CCNC 862/4885CDK8 370/4885PDK2 264/4885
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 CCNC 1991/4885CDK8 424/4885PDK2 533/4885
US-20220017483-A1 AMINOPYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF ADORA1, ADORA2A, ADORA2B CCNC 2707/4885CDK8 1435/4885PDK2 529/4885
US-20220002278-A9 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF EP300, HDAC11, HDAC1 CCNC 3704/4885CDK8 465/4885PDK2 891/4885
US-10941152-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR CCNC 3827/4885CDK8 677/4885PDK2 289/4885

“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.