SCHEMBL1847702

SCHEMBL1847702

O=C(NCc1cccc(-c2n[nH]cc2-c2ccncc2)c1)Nc1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F3 P13726 5/20 0.56
THRB P10828 1/20 0.47
ROCK2 O75116 5/20 0.46
ROCK1 Q13464 4/20 0.46
DGAT2 Q96PD7 1/20 0.46
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PPIA P62937 1/20 0.43
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL1846977 0.90 TRPV1 (0.47) F3ROCK2ROCK1MAPK1
SCHEMBL1845815 0.88 F3 (0.54) F3ROCK2ROCK1HTTRAB9A
SCHEMBL1847099 0.87 LMNA (0.56) F3ROCK2ROCK1HTTMAPK1
SCHEMBL1847587 0.85 HTT (0.57) ROCK1HTTRAB9AKDM4EALDH1A1
SCHEMBL1849208 0.84 ROCK2 (0.58) F3ROCK2ROCK1HTTMAPK1
SCHEMBL4546917 0.81 NAMPT (0.57) ROCK2ROCK1MAPT
SCHEMBL1849454 0.80 ROCK2 (0.56) ROCK2ROCK1HTTRAB9A
SCHEMBL1845183 0.80 NAMPT (0.56) ROCK2ROCK1HTT
SCHEMBL13534571 0.80 ROCK2 (0.54) F3ROCK2ROCK1HTT
SCHEMBL1847141 0.80 ROCK2 (0.63) F3ROCK2ROCK1DGAT2HTT

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 15 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
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 F3 1410/4885THRB 2574/4885ROCK2 648/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 F3 1410/4885THRB 2574/4885ROCK2 648/4885

“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.