SCHEMBL304151

SCHEMBL304151

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1-c1nc2cnc(N(C)C)cc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.35
JAK2 O60674 5/20 0.35
KDR P35968 4/20 0.34
PARP1 P09874 2/20 0.33
SYK P43405 1/20 0.33
LDLR P01130 3/20 0.32
THRB P10828 1/20 0.32
STK16 O75716 1/20 0.32
CSF1R P07333 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
MAP3K11 Q16584 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
TAOK2 Q9UL54 1/20 0.32
FASN P49327 1/20 0.32
BRD4 O60885 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
FAAH O00519 2/20 0.31
EGFR P00533 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL27950036 0.91 FLT3 (0.34) JAK3JAK2SYKFAAHEGFR
SCHEMBL2027896 0.88 PIK3CA (0.35) JAK3JAK2LDLRTHRB
SCHEMBL1923364 0.86 LDLR (0.44) JAK3JAK2KDRLDLRFASN
SCHEMBL1922164 0.83 JAK3 (0.36) JAK3JAK2SYKBRD4BRD9
SCHEMBL303622 0.83 PTGDR2 (0.41) JAK3JAK2KDRLDLRFASN
SCHEMBL304973 0.82 JAK3 (0.36) JAK3JAK2SYKFASNBRD4
SCHEMBL304177 0.81 SCN9A (0.37) JAK3JAK2KDRLDLR
SCHEMBL30090632 0.81 SCN9A (0.37) JAK3JAK2KDRLDLR
SCHEMBL1921686 0.80 CYP1A2 (0.37) KDR
SCHEMBL2027187 0.80 JAK2 (0.35) JAK3JAK2SYKPTGDR2

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
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP claimed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 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 JAK3 1093/4885JAK2 570/4885KDR 2860/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO JAK3 512/4885JAK2 303/4885KDR 2824/4885

“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.