SCHEMBL2478428

SCHEMBL2478428

O=C(Nc1cccc(-c2nn3c(c2-c2ccncc2)SCCC3)c1)Nc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
ROCK1 Q13464 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
CSNK1D P48730 2/20 0.40
CSNK1E P49674 2/20 0.40
CNR1 P21554 3/20 0.40
EPHX2 P34913 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2480457 0.92 TAAR1 (0.43) SMN1; SMN2RAB9ANPC1CSNK1DCSNK1E
SCHEMBL2477515 0.91 CNR1 (0.48) HTTSMN1; SMN2ROCK1CSNK1DCSNK1E
SCHEMBL2479611 0.85 TAAR1 (0.43) HTTSMN1; SMN2RAB9ANPC1CSNK1E
SCHEMBL2474825 0.85 SMN1; SMN2 (0.49) SMN1; SMN2GAARAB9ANPC1CNR1
SCHEMBL2479091 0.84 BRAF (0.51) HTTGAARAB9AKMT2AMEN1
SCHEMBL2475882 0.84 BRAF (0.45) CNR1EPHX2MTOR
SCHEMBL2532523 0.84 DYRK1A (0.52) HTTSMN1; SMN2GAARAB9ANPC1
SCHEMBL2479525 0.84 CNR1 (0.57) CNR1MAPTTP53
SCHEMBL2478693 0.84 CNR1 (0.48) SMN1; SMN2RAB9ANPC1CNR1KMT2A
SCHEMBL2479417 0.83 GAA (0.42) HTTSMN1; SMN2GAARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524707-B2 Bicyclic pyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-03 US disclosed
US-8524707-B2 Bicyclic pyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-03 US disclosed
US-8524707-B2 Bicyclic pyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-03 US disclosed
EP-2373664-B1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
EP-2373664-B1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
US-20110257165-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-10-20 US disclosed
US-20110257165-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-10-20 US disclosed
US-20110257165-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-10-20 US disclosed
EP-2373664-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2011-10-12 EP disclosed
WO-2010070060-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-06-24 WO disclosed
WO-2010070060-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-06-24 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-20110257165-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K19, MAP4K3, MAP3K15 HTT 4722/4885SMN1; SMN2 4275/4885GAA 2439/4885

“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.