SCHEMBL1922519

SCHEMBL1922519

Cc1ccc(Nc2cccc3c2CCN(CCS(C)(=O)=O)C3)cc1-c1ncccc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
CDK6 Q00534 1/20 0.37
P2RY1 P47900 6/20 0.37
MAPK14 Q16539 1/20 0.36
JAK2 O60674 8/20 0.35
JAK3 P52333 8/20 0.35
PTK2 Q05397 8/20 0.35
CARM1 Q86X55 1/20 0.35
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
BRD9 Q9H8M2 1/20 0.33

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
SCHEMBL304998 0.93 P2RY1 (0.38) P2RY1MAPK14CARM1P2RX7KDM4E
SCHEMBL305399 0.86 CARM1 (0.39) P2RY1MAPK14JAK2JAK3PTK2
SCHEMBL304705 0.86 JAK2 (0.40) CDK2MAPK14JAK2JAK3POLB
SCHEMBL1921911 0.84 JAK2 (0.37) CDK4CDK2CDK6P2RY1JAK2
SCHEMBL1921865 0.83 JAK2 (0.38) CDK4CDK2CDK6JAK2JAK3
SCHEMBL303994 0.82 JAK2 (0.37) JAK2JAK3PTK2CARM1BRD9
SCHEMBL1922391 0.82 MAPK14 (0.33) CDK2MAPK14P2RX7POLBMAPT
SCHEMBL2028117 0.81 JAK2 (0.40) P2RY1JAK2JAK3PTK2CARM1
SCHEMBL1922133 0.81 BRD9 (0.36) JAK2JAK3PTK2CARM1BRD9
SCHEMBL1923953 0.81 JAK2 (0.39) JAK2JAK3PTK2CARM1BRD9

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 14 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
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US claimed
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP 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-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
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP disclosed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 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 (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 CDK4 832/4885CDK2 1170/4885CDK6 688/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO CDK4 592/4885CDK2 814/4885CDK6 576/4885

“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.