SCHEMBL4411489

SCHEMBL4411489

COc1ccc2nc(-c3n[nH]cc3I)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
TP53 P04637 4/20 0.57
RAB9A P51151 4/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MEN1 O00255 2/20 0.54
POLB P06746 2/20 0.54
PKM P14618 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
PDPK1 O15530 1/20 0.53
RUNX1 Q01196 2/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL13596393 0.77 NPC1 (0.56) NPC1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL20982659 0.76 NPC1 (0.85) NPC1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL9304583 0.75 NPC1 (0.58) NPC1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL28500114 0.74 NPC1 (0.56) NPC1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL13596384 0.74 KDR (0.48) NPC1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL13596386 0.74 KDR (0.48) NPC1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL13596389 0.74 KDR (0.68) NPC1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL4781712 0.74 KDR (0.68) NPC1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL13596385 0.74 KDR (0.68) NPC1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL3125413 0.74 NPC1 (0.75) NPC1TP53RAB9AHPGDSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638518-B2 Substituted pyrazole kinase inhibitors JANSSEN PHARMACEUTICA (BE) 2009-12-29 US disclosed
US-7638518-B2 Substituted pyrazole kinase inhibitors JANSSEN PHARMACEUTICA (BE) 2009-12-29 US disclosed
US-7638518-B2 Substituted pyrazole kinase inhibitors JANSSEN PHARMACEUTICA (BE) 2009-12-29 US disclosed
US-20080153844-A1 3-(Benzimidazol-2-yl)pyrazole derivatives; inhibitors of ATP and protein kinase interactions; diabetes, rheumatoid arthritis, Crohn's disease, septic shock, cachexia, pancreatitis, Alzheimer's disease, Parkinson's disease; antimetastasis, anticarcinogenic, antitumor, antidepressant, antiallergen agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 US disclosed
US-20080153844-A1 3-(Benzimidazol-2-yl)pyrazole derivatives; inhibitors of ATP and protein kinase interactions; diabetes, rheumatoid arthritis, Crohn's disease, septic shock, cachexia, pancreatitis, Alzheimer's disease, Parkinson's disease; antimetastasis, anticarcinogenic, antitumor, antidepressant, antiallergen agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 US disclosed
US-20080153844-A1 3-(Benzimidazol-2-yl)pyrazole derivatives; inhibitors of ATP and protein kinase interactions; diabetes, rheumatoid arthritis, Crohn's disease, septic shock, cachexia, pancreatitis, Alzheimer's disease, Parkinson's disease; antimetastasis, anticarcinogenic, antitumor, antidepressant, antiallergen agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 US disclosed
WO-2008048502-A1 SUBSTITUTED PYRAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-24 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-20080153844-A1 3-(Benzimidazol-2-yl)pyrazole derivatives; inhibitors of ATP and protein kinase interactions; diabetes, rheumatoid arthritis, Crohn's disease, septic shock, cachexia, pancreatitis, Alzheimer's disease, Parkinson's disease; antimetastasis, anticarcinogenic, antitumor, antidepressant, antiallergen agents ADK, ATP5ME, ATP5MK NPC1 4476/4885TP53 971/4885RAB9A 2168/4885

“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.