SCHEMBL4470876

SCHEMBL4470876

COc1ncc(F)cc1CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.40
CYP3A4 P08684 3/20 0.40
KIT P10721 2/20 0.37
CSF1R P07333 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
AURKC Q9UQB9 1/20 0.37
DPP4 P27487 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
CD274 Q9NZQ7 4/20 0.35
PDCD1LG2 Q9BQ51 2/20 0.35
PIK3CA P42336 2/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
PDCD1 Q15116 2/20 0.33
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 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
SCHEMBL30630810 0.83 CYP2C9 (0.41) CYP2C9CYP3A4KITCSF1RCYP2C19
SCHEMBL15200440 0.83 CYP2C9 (0.41) CYP2C9CYP3A4KITCSF1RCYP2C19
SCHEMBL21847221 0.81 CYP3A4 (0.43) CYP2C9CYP3A4KITCSF1RCYP2C19
SCHEMBL22690068 0.81 CYP2C9 (0.42) CYP2C9CYP3A4KITCSF1RCYP2C19
SCHEMBL25503495 0.81 CYP2C9 (0.43) CYP2C9CYP3A4KITCSF1RCYP2C19
SCHEMBL5008455 0.81 PDE4A (0.41) CYP2C9CYP3A4KITCSF1RCYP2C19
SCHEMBL15213174 0.80 HMGCR (0.44) CYP2C9CYP3A4KITCSF1RCYP2C19
SCHEMBL28928942 0.80 LOXL2 (0.33) LOXL2
SCHEMBL20670339 0.79 SLC13A5 (0.47) CYP2C9CYP3A4KITCSF1RCYP2C19
SCHEMBL22578623 0.79 CYP2C9 (0.40) CYP2C9CYP3A4KITCSF1RCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 US disclosed
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 US disclosed
EP-4163283-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2023-04-12 EP disclosed
WO-2021027503-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE AND USE THEREOF 罗欣药业(上海)有限公司 2021-02-18 WO disclosed
CN-106220623-A Compounds and methods for and indication thereof for kinases regulation 普莱希科公司 2016-12-14 CN disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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 (4 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH CYP2C9 2276/4885CYP3A4 2888/4885KIT 1112/4885
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF BTK, SRC, YES1 CYP2C9 2061/4885CYP3A4 2765/4885KIT 1505/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH CYP2C9 2276/4885CYP3A4 2888/4885KIT 1112/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP2C9 3884/4885CYP3A4 3717/4885KIT 1/4885

“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.