SCHEMBL4546751

SCHEMBL4546751

O=C(Nc1cccc(F)c1)c1cccc(-c2n[nH]cc2-c2ccncc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 1/20 0.52
KCNK3 O14649 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.49
MET P08581 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
NAMPT P43490 1/20 0.46
NTRK1 P04629 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
KCNK9 Q9NPC2 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL1847392 0.91 MET (0.53) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL1850045 0.90 SIRT2 (0.54) NPC1RAB9AHPGDKCNK3HTT
SCHEMBL1845707 0.88 TAAR1 (0.51) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL1849928 0.88 SMN1; SMN2 (0.58) NPC1RAB9AKCNK3MEN1KMT2A
SCHEMBL1845487 0.88 MEN1 (0.53) RAB9AKCNK3MEN1KMT2ASIRT2
SCHEMBL1847240 0.88 KCNK3 (0.58) KCNK3MEN1KMT2ASIRT2NAMPT
SCHEMBL1847960 0.87 RXFP1 (0.57) KCNK3MEN1KMT2AMAPT
SCHEMBL1849589 0.86 DYRK3 (0.57) NPC1RAB9AKCNK3MEN1KMT2A
SCHEMBL1847639 0.84 NPC1 (0.52) NPC1RAB9ASIRT2MAPT
SCHEMBL1848312 0.84 MAPK1 (0.51) KMT2ASIRT2NTRK1MAPTROCK2

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 8 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-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
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
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 (1 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-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 NPC1 3775/4885RAB9A 1760/4885HPGD 2371/4885

“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.