SCHEMBL1977571

SCHEMBL1977571

O=C(Nc1cccc(-c2n[nH]cc2-c2ccncc2)c1)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CLK1 P49759 1/20 0.56
MAPT P10636 7/20 0.55
KDM4E B2RXH2 5/20 0.55
LMNA P02545 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
HPGD P15428 5/20 0.52
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
GLA P06280 2/20 0.51
GAA P10253 2/20 0.51
THRB P10828 1/20 0.51
TTK P33981 2/20 0.50
PTBP1 P26599 1/20 0.49
KLF5 Q13887 1/20 0.49

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
SCHEMBL1856453 0.84 GRM4 (0.53) NPC1RAB9AKDM4ESMN1; SMN2KCNK3
SCHEMBL1851689 0.82 NTRK1 (0.58) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL1851180 0.82 NTRK1 (0.47) KCNK3
SCHEMBL1847629 0.82 CNR1 (0.55) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1848087 0.82 CNR1 (0.47) KDM4ELMNAKMT2AHTTMEN1
SCHEMBL6587615 0.82 NPC1 (0.57) NPC1RAB9ACLK1MAPTKDM4E
SCHEMBL10272476 0.81 NTRK1 (0.47) KDM4EALDH1A1HPGDKCNK3GAA
SCHEMBL1850045 0.80 SIRT2 (0.54) NPC1RAB9AHTTALDH1A1SMN1; SMN2
SCHEMBL1851742 0.80 CNR1 (0.47) MAPTKDM4ELMNAKMT2AHTT
SCHEMBL1848777 0.79 CNR1 (0.58) ALDH1A1TTK

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 4 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-8541575-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 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

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 1760/4885CLK1 424/4885

“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.