SCHEMBL10160948

SCHEMBL10160948

C/N=C(\Nc1cccc(C)c1)Nc1nc(N2CCOCC2)nc2cc(OC)c(OCCN3CCOCC3)cc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.56
KDR P35968 5/20 0.56
BRAF P15056 1/20 0.56
FLT3 P36888 1/20 0.49
EHMT2 Q96KQ7 4/20 0.48
EHMT1 Q9H9B1 3/20 0.48
SRC P12931 1/20 0.47
ROCK2 O75116 1/20 0.47
MAPK14 Q16539 1/20 0.46
EPHA2 P29317 1/20 0.46
EPHB4 P54760 1/20 0.46
PDGFRB P09619 1/20 0.45
RET P07949 1/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL425677 1.00 EGFR (0.56) EGFRKDRBRAFFLT3EHMT2
SCHEMBL13622708 0.93 EGFR (0.56) EGFRKDRBRAFFLT3EHMT2
SCHEMBL10160950 0.92 EGFR (0.53) EGFRKDRBRAFFLT3EHMT2
SCHEMBL428513 0.92 EGFR (0.53) EGFRKDRBRAFFLT3EHMT2
SCHEMBL10160951 0.90 EGFR (0.54) EGFRKDRBRAFFLT3EHMT2
SCHEMBL426640 0.90 EGFR (0.54) EGFRKDRBRAFFLT3EHMT2
SCHEMBL4121881 0.90 BRAF (0.67) EGFRKDRBRAFFLT3ROCK2
SCHEMBL426005 0.90 EGFR (0.57) EGFRKDRBRAFFLT3EHMT2
SCHEMBL458720 0.90 EGFR (0.57) EGFRKDRBRAFFLT3EHMT2
SCHEMBL425676 0.86 EGFR (0.48) EGFRKDRBRAFEHMT2EHMT1

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
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 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 (4 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-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 EGFR 3409/4885KDR 3480/4885BRAF 4124/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 EGFR 2569/4885KDR 3721/4885BRAF 1453/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 EGFR 4490/4885KDR 4489/4885BRAF 892/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 EGFR 4490/4885KDR 4489/4885BRAF 892/4885

“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.