SCHEMBL6033729

SCHEMBL6033729

CCc1c(N)ncnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.44
NOS3 P29474 1/20 0.44
RPS6KB1 P23443 4/20 0.39
ALDH1A1 P00352 2/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
ADORA2A P29274 6/20 0.35
ADORA1 P30542 4/20 0.35
PI4KA P42356 2/20 0.35
PI4K2B Q8TCG2 2/20 0.35
PI4K2A Q9BTU6 2/20 0.35
PI4KB Q9UBF8 2/20 0.35
HTT P42858 1/20 0.34
ADORA2B P29275 3/20 0.33
USP7 Q93009 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL20343528 0.84 NOS2 (0.52) NOS2NOS3RPS6KB1CDC7DBF4
SCHEMBL1899247 0.84 ALDH1A1 (0.44) NOS2NOS3ALDH1A1SELEVCAM1
SCHEMBL12776668 0.78 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2HTTGALR3
SCHEMBL16155044 0.77 TAAR1 (0.39) RPS6KB1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL856427 0.76 ALDH1A1 (0.39) ALDH1A1SELEVCAM1LMNASMN1; SMN2
SCHEMBL12323407 0.76 NOS2 (0.45) NOS2NOS3RPS6KB1CDC7DBF4
SCHEMBL855372 0.76 ALDH1A1 (0.39) NOS2NOS3ALDH1A1SELEVCAM1
SCHEMBL16155048 0.75 ADORA2A (0.35) ALDH1A1LMNASMN1; SMN2ADORA2AADORA1
SCHEMBL22325340 0.75 ALDH1A1 (0.34) RPS6KB1ALDH1A1LMNASMN1; SMN2
SCHEMBL22863895 0.74 ALDH1A1 (0.38) ALDH1A1SELEVCAM1LMNASMN1; SMN2

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3521289-B1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS INC (US) 2023-10-25 EP disclosed
US-20210338673-A1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS INC (US) 2021-11-04 US disclosed
CN-106946796-B Aminopyrimidine derivatives useful as modulators of kinase activity 默克专利有限公司 2020-05-08 CN disclosed
EP-3521289-A1 MNK INHIBITORS AND METHODS RELATED THERETO Effector Therapeutics Inc. (US) 2019-08-07 EP disclosed
US-20190209560-A1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS, INC. 2019-07-11 US disclosed
EP-2970201-B1 6-[4-(1H-IMIDAZOL-2-YL)PIPERIDIN-1-YL]PYRIMIDIN-4-AMINE DERIVATIVES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2019-06-19 EP disclosed
CN-103930407-B Aminopyrimidine derivatives useful as modulators of kinase activity 默克专利有限公司 2019-02-26 CN disclosed
US-10080750-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 US disclosed
US-20180085368-A1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS, INC. (NL) 2018-03-29 US disclosed
EP-2755958-B9 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2018-02-28 EP disclosed
CN-103930407-A Aminopyrimidine derivatives useful as modulators of kinase activity MERCK PATENT GMBH 2014-07-16 CN disclosed
WO-2013040059-A1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-21 WO disclosed
WO-2013040059-A1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-21 WO disclosed
WO-2013040044-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-21 WO disclosed
WO-2013040044-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-21 WO disclosed
US-20110269766-A1 Benzimidazole-4-Carboxamide Derivatives, Their Preparation Methods, Pharmaceutical Compositions And Their Uses ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2011-11-03 US disclosed
CN-101035780-A Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain MERCK SHARP & DOHME (GB) 2007-09-12 CN disclosed
EP-1685124-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2006-08-02 EP disclosed
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain HOLLINGWORTH GREGORY J (GB) 2005-09-08 US disclosed
WO-2005047279-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 WO 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-10080750-B2 Aminopyrimidine derivatives for use as modulators of kinase activity CDK6, TK1, MAP3K19 NOS2 1114/4885NOS3 1750/4885RPS6KB1 165/4885
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain OPRL1, OPRK1, CNR1 NOS2 1088/4885NOS3 595/4885RPS6KB1 1271/4885
US-20190209560-A1 MNK INHIBITORS AND METHODS RELATED THERETO TNNI3K, NIM1K, NEK9 NOS2 2078/4885NOS3 1818/4885RPS6KB1 94/4885
US-20180085368-A1 MNK INHIBITORS AND METHODS RELATED THERETO TNNI3K, NIM1K, NEK9 NOS2 2078/4885NOS3 1818/4885RPS6KB1 94/4885
US-20210338673-A1 MNK INHIBITORS AND METHODS RELATED THERETO TNNI3K, NIM1K, NEK9 NOS2 2078/4885NOS3 1818/4885RPS6KB1 94/4885
US-20110269766-A1 Benzimidazole-4-Carboxamide Derivatives, Their Preparation Methods, Pharmaceutical Compositions And Their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS, HDAC6 NOS2 2696/4885NOS3 2234/4885RPS6KB1 1357/4885

“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.