SCHEMBL1012734

SCHEMBL1012734

Nc1cc(C(F)(F)F)nn1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.63
CYP1A2 P05177 2/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
PTGS2 P35354 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
GFER P55789 1/20 0.50
PDPK1 O15530 1/20 0.48
NPC1 O15118 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
STAT1 P42224 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL1012318 0.86 CYP1A2 (0.53) PTGS1CYP1A2MAPK1CYP2C19RAB9A
SCHEMBL1011476 0.86 CYP1A2 (0.57) PTGS1CYP1A2MAPK1CYP2C19RAB9A
SCHEMBL1013645 0.84 PTGS2 (0.55) PTGS1RAB9ASMN1; SMN2PTGS2MEN1
SCHEMBL1012636 0.83 CYP1A2 (0.54) PTGS1CYP1A2MAPK1CYP2C19RAB9A
SCHEMBL1013244 0.83 CYP2C9 (0.57) PTGS1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL13014987 0.82 PTGS2 (0.49) PTGS1CYP1A2MAPK1CYP2C19ALDH1A1
SCHEMBL1013431 0.82 ALDH1A1 (0.65) PTGS1CYP1A2MAPK1CYP2C19RAB9A
SCHEMBL13860427 0.82 CYP1A2 (0.49) PTGS1CYP1A2MAPK1CYP2C19RAB9A
SCHEMBL14659672 0.82 TRPV1 (0.51) SMN1; SMN2PTGS2KLKB1
SCHEMBL1264553 0.82 CYP1A2 (0.61) PTGS1CYP1A2MAPK1CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025067411-A1 NEK7 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2025-04-03 WO disclosed
WO-2025002289-A1 PYRAZOLOHETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 湖南九典制药股份有限公司 2025-01-02 WO disclosed
CN-119219638-A Pyrazoloheteroaryl compound and preparation method and application thereof 湖南九典制药股份有限公司 2024-12-31 CN disclosed
CN-119060018-A N, N-diaryl urea derivative and application thereof 杭州百新生物医药科技有限公司 2024-12-03 CN disclosed
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 US disclosed
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2019-09-05 US disclosed
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2019-07-16 US disclosed
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-06-18 US disclosed
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation Sanford Burnham Prebys Medical Discovery Institute (US) 2019-04-30 US disclosed
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation Sanford Burnham Prebys Medical Discovery Institute (US) 2019-04-30 US disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
CN-101553232-A Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
CN-101516379-A Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-08-26 CN disclosed
EP-2063896-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2009-04-16 US disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008033999-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-03-20 WO disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 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 (7 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-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 PTGS1 157/4885CYP1A2 2955/4885MAPK1 128/4885
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK PTGS1 1269/4885CYP1A2 3232/4885MAPK1 126/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 PTGS1 157/4885CYP1A2 2955/4885MAPK1 128/4885
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation NR3C1, NR3C2, GRK3 PTGS1 657/4885CYP1A2 3730/4885MAPK1 1325/4885
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 PTGS1 1047/4885CYP1A2 3849/4885MAPK1 93/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 PTGS1 157/4885CYP1A2 2955/4885MAPK1 128/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 PTGS1 1047/4885CYP1A2 3849/4885MAPK1 93/4885

“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.