SCHEMBL10297751

SCHEMBL10297751

Cc1ncc(C(F)(F)F)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.35
CYP1A2 P05177 4/20 0.35
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ASPH Q12797 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MBOAT4 Q96T53 2/20 0.32
GABBR2 O75899 3/20 0.32
GABBR1 Q9UBS5 3/20 0.32
SORT1 Q99523 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ULK1 O75385 1/20 0.32
NR1H2 P55055 1/20 0.32
AURKA O14965 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 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
Ammonia Solution, Strong SCHEMBL28557230 0.98 LRRK2 (0.34) LRRK2CYP1A2HPGDHSD17B10ASPH
SCHEMBL12264117 0.79 LMNA (0.31)
SCHEMBL10206571 0.78 NFKB1 (0.43) LRRK2CYP1A2MBOAT4
SCHEMBL15502332 0.78 MBOAT4 (0.40) LRRK2CYP1A2MBOAT4NR1H2
SCHEMBL31125220 0.78 KDM4E (0.44) HPGDHSD17B10HSP90AA1HSP90AB1MBOAT4
SCHEMBL5019496 0.78 KDM4E (0.44) HPGDHSD17B10HSP90AA1HSP90AB1MBOAT4
SCHEMBL15502285 0.78 HPGD (0.32) LRRK2CYP1A2HPGDHSD17B10ASPH
SCHEMBL9283648 0.78 AURKA (0.43) HPGDHSD17B10HSP90AA1HSP90AB1MBOAT4
SCHEMBL13674954 0.78 LRRK2 (0.33) LRRK2CYP1A2HPGDHSD17B10ASPH
SCHEMBL16476936 0.77 HPGD (0.31) LRRK2CYP1A2HPGDHSD17B10ASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US disclosed
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US disclosed
EP-4186895-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK Medicines Inc. (CN) 2023-05-31 EP disclosed
EP-3421465-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-10-26 EP disclosed
WO-2022068849-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE BEIGENE, LTD. (KY) 2022-04-07 WO disclosed
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 EP disclosed
EP-3421465-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2019-01-02 EP disclosed
WO-2018029288-A1 SULFONYL PYRIDYL TRP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-02-15 WO disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 US disclosed
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 US disclosed
US-8729265-B2 Regioselective preparation of 2-amino-5-trifluoromethylpyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-20 US disclosed
US-20130079518-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES LINZ GUENTER (DE) 2013-03-28 US disclosed
US-20130079519-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES DURAN ADIL (DE) 2013-03-28 US disclosed
US-8372974-B2 Regioselective preparation of substituted pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-8334383-B2 Regioselective preparation of substituted pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-18 US disclosed
US-20120172596-A1 REGIOSELECTIVE PREPARATION OF 2-AMINO-5-TRIFLUOROMETHYLPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-05 US disclosed
US-20110190499-A1 SELECTIVE SYNTHESIS OF FUNCTIONALIZED PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 US disclosed
US-20110077403-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-31 US disclosed
US-20110060141-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
WO-2010046035-A1 SULFOXIMINE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 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 (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-20110190499-A1 SELECTIVE SYNTHESIS OF FUNCTIONALIZED PYRIMIDINES DPYD, TYMS, UMPS LRRK2 3524/4885CYP1A2 303/4885HPGD 819/4885
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS ITGB6, ITGA5, ITGAV LRRK2 1844/4885CYP1A2 4411/4885HPGD 3044/4885
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 LRRK2 2867/4885CYP1A2 1117/4885HPGD 3548/4885
US-20110060141-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES TYMS, DPYD, TYMP LRRK2 3870/4885CYP1A2 261/4885HPGD 993/4885
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 LRRK2 4378/4885CYP1A2 427/4885HPGD 1178/4885
US-20110077403-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES TYMS, DPYD, TYMP LRRK2 3870/4885CYP1A2 261/4885HPGD 993/4885
US-20120172596-A1 REGIOSELECTIVE PREPARATION OF 2-AMINO-5-TRIFLUOROMETHYLPYRIMIDINE DERIVATIVES DPYD, HRH2, TYMS LRRK2 1764/4885CYP1A2 513/4885HPGD 259/4885
US-20130079518-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES TYMS, DPYD, TYMP LRRK2 3850/4885CYP1A2 236/4885HPGD 943/4885
US-20130079519-A1 REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES TYMS, DPYD, TYMP LRRK2 3850/4885CYP1A2 236/4885HPGD 943/4885

“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.