SCHEMBL1845653

SCHEMBL1845653

Nc1cccc(-c2c(-c3ccncc3)cnn2-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.52
RAB9A P51151 9/20 0.52
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.47
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGDS O60760 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 1/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
PIK3CA P42336 2/20 0.43
GFER P55789 1/20 0.43
NTRK1 P04629 1/20 0.43
CYP2C8 P10632 1/20 0.41

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
SCHEMBL1846495 0.79 MAPT (0.61) NPC1RAB9AKMT2AHPGDMAPT
SCHEMBL7912407 0.78 NPC1 (0.65) NPC1RAB9AKMT2AATMMAPT
SCHEMBL1848666 0.71 BRAF (0.68) KMT2AHPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL12854139 0.70 HIF1A (0.69) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL17610473 0.70 NPC1 (1.00) NPC1RAB9AKMT2AATMHPGD
SCHEMBL31276556 0.70 LMNA (0.58) NPC1RAB9AKMT2AHPGDMAPT
SCHEMBL8764353 0.69 NPC1 (0.62) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL583534 0.69 CYP3A4 (0.70) NPC1MAPTMEN1CYP3A4PIK3CA
SCHEMBL7858212 0.69 NPC1 (0.49) NPC1RAB9AKMT2AATMGAA
SCHEMBL8765024 0.68 RAB9A (0.69) NPC1RAB9AKMT2AATMHPGD

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 9 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
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
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
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

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 1760/4885KMT2A 1195/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 NPC1 3775/4885RAB9A 1760/4885KMT2A 1195/4885

“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.