SCHEMBL1849331

SCHEMBL1849331

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc(-c2n[nH]cc2-c2ccncc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ABL1 P00519 4/20 0.51
HTR2A P28223 1/20 0.51
KDR P35968 3/20 0.49
BRAF P15056 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
CASP3 P42574 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
MAPK14 Q16539 1/20 0.49
TNNI3K Q59H18 1/20 0.49
EPHX2 P34913 1/20 0.49
CNR1 P21554 1/20 0.48
P2RY1 P47900 2/20 0.48
NAMPT P43490 1/20 0.46

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
SCHEMBL1845808 0.89 KDR (0.54) RAB9AKDRBRAFMEN1MAPT
SCHEMBL1847629 0.88 CNR1 (0.55) KDRBRAFMEN1MAPTKMT2A
SCHEMBL1847495 0.87 RAF1 (0.56) KDRBRAFMAPTHTTMAPK14
SCHEMBL1851325 0.87 RAF1 (0.56) RAB9AKDRBRAFMEN1TP53
SCHEMBL1847348 0.87 CNR1 (0.53) ABL1KDRMEN1MAPTHTT
SCHEMBL1848777 0.87 CNR1 (0.58) MAPK14CNR1
SCHEMBL1848118 0.85 KDR (0.57) RAB9AABL1KDRBRAFMEN1
SCHEMBL4547025 0.85 CNR1 (0.53) KDRBRAFMEN1KMT2AMAPK14
SCHEMBL1848013 0.85 CNR1 (0.53) NPC1RAB9AKDRMEN1KMT2A
SCHEMBL1847189 0.85 CNR1 (0.69) KDRMEN1KMT2ACNR1

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 17 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
CN-102105459-B 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-09-10 CN 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 NPC1 3775/4885RAB9A 1760/4885ABL1 19/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 NPC1 3775/4885RAB9A 1760/4885ABL1 19/4885

“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.