SCHEMBL3581344

SCHEMBL3581344

Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4=CNc3ccc(COC(=O)CN(C)C)cc3)c2)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.42
FGFR1 P11362 3/20 0.42
BRAF P15056 1/20 0.36
NTRK1 P04629 4/20 0.36
KMT2A Q03164 1/20 0.35
USP1 O94782 1/20 0.33
AURKA O14965 1/20 0.33
RAF1 P04049 1/20 0.33
SRC P12931 1/20 0.33
NTRK2 Q16620 1/20 0.33
F10 P00742 1/20 0.33
AURKB Q96GD4 3/20 0.33
NTRK3 Q16288 1/20 0.32
POLB P06746 1/20 0.32
FLT3 P36888 1/20 0.32
RET P07949 1/20 0.32

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
SCHEMBL3581341 0.88 KDR (0.42) KDRFGFR1BRAFNTRK1KMT2A
SCHEMBL3577932 0.86 KDR (0.46) KDRFGFR1BRAFNTRK1KMT2A
SCHEMBL3577933 0.86 KDR (0.46) KDRFGFR1BRAFNTRK1KMT2A
SCHEMBL3571783 0.85 KDR (0.48) KDRFGFR1BRAFNTRK1KMT2A
SCHEMBL3571787 0.85 KDR (0.48) KDRFGFR1BRAFNTRK1KMT2A
SCHEMBL3575231 0.85 KDR (0.44) KDRFGFR1BRAFNTRK1KMT2A
SCHEMBL3575229 0.85 KDR (0.44) KDRFGFR1BRAFNTRK1KMT2A
SCHEMBL3572736 0.85 KDR (0.45) KDRFGFR1BRAFNTRK1KMT2A
SCHEMBL3572738 0.85 KDR (0.45) KDRFGFR1BRAFNTRK1KMT2A
SCHEMBL3581069 0.85 KDR (0.41) KDRFGFR1BRAFNTRK1KMT2A

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 KDR 51/4885FGFR1 252/4885BRAF 72/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 KDR 226/4885FGFR1 171/4885BRAF 21/4885

“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.