SCHEMBL3581640

SCHEMBL3581640

Cc1ccc(NC=C2C(=O)Nc3ccc(C(=O)c4ccc(N)cc4)cc32)cc1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.42
TLK2 Q86UE8 5/20 0.41
ALK Q9UM73 2/20 0.40
JAK3 P52333 2/20 0.40
RET P07949 1/20 0.40
FLT3 P36888 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
TGM2 P21980 1/20 0.38
AURKA O14965 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
GSK3B P49841 2/20 0.38
NTRK1 P04629 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL3581636 0.92 PDPK1 (0.43) RAF1TLK2JAK3CCNB2CDK1
SCHEMBL3578283 0.92 PIM1 (0.42) RAF1TLK2ALKRETFLT3
SCHEMBL3572331 0.91 LMNA (0.45) RAF1TLK2ALKJAK3RET
SCHEMBL3578693 0.89 JAK3 (0.52) RAF1TLK2JAK3CCNB2CDK1
SCHEMBL3578699 0.89 JAK3 (0.52) RAF1TLK2JAK3CCNB2CDK1
SCHEMBL3572328 0.88 PDPK1 (0.46) RAF1TLK2JAK3CCNB2CDK1
SCHEMBL4757664 0.88 PDPK1 (0.46) RAF1TLK2JAK3CCNB2CDK1
SCHEMBL3581212 0.87 NOX4 (0.46) RAF1TLK2RETAURKANOX4
SCHEMBL3578279 0.85 TGM2 (0.37) RAF1TLK2FLT3CCNB2CDK1
SCHEMBL3581088 0.84 RET (0.40) ALKRETFLT3IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 RAF1 172/4885TLK2 304/4885ALK 191/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 RAF1 69/4885TLK2 363/4885ALK 145/4885

“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.