SCHEMBL1845707

SCHEMBL1845707

O=C(Nc1cccc(F)c1)Nc1cccc(-c2n[nH]cc2-c2ccncc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.51
KDR P35968 5/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CNR1 P21554 1/20 0.48
NTRK1 P04629 3/20 0.47
PDGFRA P16234 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA2B P29275 2/20 0.47
ADORA1 P30542 2/20 0.47
PRKD3 O94806 2/20 0.47
MAP4K4 O95819 2/20 0.47
CSNK1A1 P48729 2/20 0.47
CLK2 P49760 2/20 0.47
NTRK2 Q16620 2/20 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
SCHEMBL1847600 0.94 CNR1 (0.47) TAAR1KDRRAB9ANPC1LMNA
SCHEMBL1847348 0.92 CNR1 (0.53) TAAR1KDRCYP1A2CYP2C9CYP2C19
SCHEMBL1847629 0.91 CNR1 (0.55) TAAR1KDRCNR1CYP3A4CYP3A5
SCHEMBL1847587 0.90 HTT (0.57) KDRRAB9ANPC1LMNACNR1
SCHEMBL1850433 0.89 BLM (0.53) KDRLMNACNR1CYP3A4CYP3A5
SCHEMBL4546751 0.88 NPC1 (0.52) RAB9ANPC1NTRK1ADORA3ADORA2A
SCHEMBL1846718 0.88 KDR (0.54) KDRRAB9ANPC1CNR1CDK8
SCHEMBL1847099 0.88 LMNA (0.56) LMNAAURKBHTTMTORKMT2A
SCHEMBL1848777 0.88 CNR1 (0.58) TAAR1CNR1CYP3A4CYP3A5AURKA
SCHEMBL1850211 0.87 SMN1; SMN2 (0.60) KDRRAB9ANPC1CNR1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946250-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-03 US disclosed
US-8946250-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-03 US disclosed
US-8946250-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-03 US disclosed
US-20140005150-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-01-02 US disclosed
US-8541575-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 US disclosed
US-8541575-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 US disclosed
US-8541575-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 US disclosed
EP-2324008-B1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-05-09 EP disclosed
EP-2324008-B1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-05-09 EP disclosed
CN-102105459-A 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2011-06-22 CN disclosed
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-16 US disclosed
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-16 US disclosed
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-16 US disclosed
EP-2324008-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-25 EP disclosed
WO-2010010154-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 WO disclosed
WO-2010010154-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 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 (2 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-20140005150-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 TAAR1 4071/4885KDR 1010/4885RAB9A 1760/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 TAAR1 4071/4885KDR 1010/4885RAB9A 1760/4885

“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.