SCHEMBL12296398

SCHEMBL12296398

Cc1cnc(C(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.43
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TLR7 Q9NYK1 1/20 0.34
PTGS2 P35354 2/20 0.33
CA2 P00918 1/20 0.32
CHKA P35790 1/20 0.32
HCRTR1 O43613 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN2B Q13224 1/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2C19 P33261 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL17342897 0.83 VNN1 (0.33) TRPV4MEN1KMT2AKCNH2GRIN2B
SCHEMBL26800901 0.81 TRPV4 (0.35) TRPV4MEN1KMT2A
SCHEMBL10219960 0.77 TRPV4 (0.44) TRPV4HSP90AA1HSP90AB1CA2CHKA
SCHEMBL7599416 0.77 VNN1 (0.31) CYP1A2TSHR
SCHEMBL17583116 0.76 KCNH2 (0.35) MEN1KMT2AKCNH2GRIN2B
SCHEMBL8313325 0.76 KCNH2 (0.35) KCNH2GRIN2B
SCHEMBL19565979 0.76 GCKR (0.39) TRPV4HCRTR1MEN1KMT2A
SCHEMBL8313877 0.74 KCNH2 (0.34) KCNH2GRIN2B
SCHEMBL8313368 0.74 KCNH2 (0.34) KCNH2GRIN2B
SCHEMBL82304 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
WO-2023115149-A1 BIFUNCTIONAL SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 WO disclosed
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 US disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 US disclosed
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 US disclosed
US-20110124651-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2011-05-26 US disclosed
WO-2011038161-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2010051503-A1 AZEPINO [4, 5-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
US-7592347-B2 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
US-7592347-B2 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
WO-2009025397-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 WO disclosed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 US disclosed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 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-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 TRPV4 3284/4885HSP90AA1 4243/4885HSP90AB1 4064/4885
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 TRPV4 4757/4885HSP90AA1 684/4885HSP90AB1 713/4885
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GRIN2A, GRIK5, GRIN2C TRPV4 929/4885HSP90AA1 1096/4885HSP90AB1 982/4885
US-20110124651-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF DDT, AFF1, Q6ZSR9 TRPV4 775/4885HSP90AA1 537/4885HSP90AB1 641/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C TRPV4 669/4885HSP90AA1 4618/4885HSP90AB1 4198/4885
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 TRPV4 4089/4885HSP90AA1 3937/4885HSP90AB1 3785/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 TRPV4 2076/4885HSP90AA1 2629/4885HSP90AB1 2077/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 TRPV4 128/4885HSP90AA1 4602/4885HSP90AB1 4706/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 TRPV4 3921/4885HSP90AA1 3074/4885HSP90AB1 2597/4885

“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.