SCHEMBL302456

SCHEMBL302456

Cc1ccc(-c2cc(Nc3nccc4c3CCN(S(C)(=O)=O)C4)ccc2C)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.45
JAK2 O60674 6/20 0.38
JAK3 P52333 6/20 0.38
SYK P43405 2/20 0.37
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
WNT3A P56704 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KA5 O75582 1/20 0.35
RPS6KA4 O75676 1/20 0.35
KIT P10721 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35
RPS6KA3 P51812 1/20 0.35
RPS6KA2 Q15349 1/20 0.35
RPS6KA1 Q15418 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
RPS6KB2 Q9UBS0 1/20 0.35

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
SCHEMBL302552 0.92 FAAH (0.46) FAAHJAK2JAK3SYKCCNT1
SCHEMBL303356 0.87 FAAH (0.51) FAAHJAK2JAK3SYK
SCHEMBL302520 0.85 PIK3CD (0.38) JAK2JAK3SYK
SCHEMBL1922408 0.85 JAK3 (0.38) JAK2JAK3SYKCHEK1AURKA
SCHEMBL302531 0.80 CCNT1 (0.46) FAAHCCNT1CDK9
SCHEMBL302550 0.78 TRPV1 (0.38)
SCHEMBL302541 0.78 JAK2 (0.42) JAK2JAK3CCNT1CDK9
SCHEMBL303148 0.78 JAK2 (0.44) JAK2JAK3SYKCCNT1CDK9
SCHEMBL303061 0.77 JAK2 (0.38) FAAHJAK2JAK3SYKCCNT1
SCHEMBL305387 0.77 JAK2 (0.37) JAK2JAK3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US claimed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US claimed
JP-2012500853-A 2012-01-12 JP claimed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US claimed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP claimed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO claimed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 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 (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-20130296333-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO FAAH 4539/4885JAK2 570/4885JAK3 1093/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO FAAH 4571/4885JAK2 303/4885JAK3 512/4885

“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.