SCHEMBL647057

SCHEMBL647057

CN1CCC(COc2ccc(Cl)cc2I)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.45
HTR2C P28335 6/20 0.44
HTR2B P41595 6/20 0.44
FGFR1 P11362 2/20 0.44
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
KDR P35968 2/20 0.44
SLC6A4 P31645 2/20 0.44
HTR6 P50406 2/20 0.44
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43
ABL2 P42684 1/20 0.43

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
SCHEMBL30819532 0.84 SLC6A4 (0.53) HTR2CHTR2BSLC6A4HTR6
SCHEMBL21984779 0.81 NOS1 (0.54) EGFRHTR2CHTR2BFGFR1FLT1
SCHEMBL13652112 0.81 MAOA (0.40) EGFRKDR
SCHEMBL4302370 0.78 DRD4 (0.54) KDR
SCHEMBL2124399 0.78 ACHE (0.49)
SCHEMBL4302361 0.78 DRD4 (0.54) KDR
SCHEMBL2056311 0.76 SIGMAR1 (0.50)
SCHEMBL30933736 0.75 OPRL1 (0.46) EGFRHTR2CHTR2BFGFR1FLT1
SCHEMBL420188 0.74 SIGMAR1 (0.38) EGFRHTR2CHTR2BFGFR1FLT1
SCHEMBL13861972 0.73 POLB (0.48) EGFRFGFR1FLT1FLT4KDR

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
CN-101356172-B Kinase inhibitors TAKEDA SAN DIEGO INC 2012-06-13 CN disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP disclosed
WO-2008054956-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-05-08 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 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 (3 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-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 EGFR 349/4885HTR2C 2969/4885HTR2B 3485/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 EGFR 378/4885HTR2C 3480/4885HTR2B 4254/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 EGFR 378/4885HTR2C 3480/4885HTR2B 4254/4885

“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.