SCHEMBL3575773

SCHEMBL3575773

NC(=O)c1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(N3CCC(O)CC3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.45
NTRK2 Q16620 3/20 0.45
JAK2 O60674 2/20 0.39
CSF1R P07333 3/20 0.39
AKT2 P31751 1/20 0.38
NTRK3 Q16288 1/20 0.37
TNIK Q9UKE5 1/20 0.37
TNK2 Q07912 1/20 0.37
PDPK1 O15530 1/20 0.36
AURKB Q96GD4 2/20 0.35
SYK P43405 1/20 0.35
ERBB2 P04626 1/20 0.35

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
SCHEMBL3575776 0.92 NTRK1 (0.43) NTRK1NTRK2JAK2CSF1RNTRK3
SCHEMBL3578295 0.90 CSF1R (0.47) JAK2CSF1RAURKBERBB2
SCHEMBL3583076 0.89 CSF1R (0.47) NTRK1NTRK2CSF1RNTRK3
SCHEMBL4756990 0.86 OPRM1 (0.37) NTRK1NTRK2AKT2PDPK1AURKB
SCHEMBL4755940 0.83 PDGFRB (0.43) CSF1RAKT2PDPK1AURKBERBB2
SCHEMBL3569087 0.83 PDGFRB (0.43) CSF1RAKT2PDPK1AURKBERBB2
SCHEMBL3573943 0.83 CSF1R (0.49) JAK2CSF1RAURKBERBB2
SCHEMBL4758319 0.83 PDPK1 (0.42) NTRK1NTRK2CSF1RAKT2NTRK3
SCHEMBL3573216 0.83 PDPK1 (0.42) NTRK1NTRK2CSF1RAKT2NTRK3
SCHEMBL3569691 0.82 CSF1R (0.49) NTRK1NTRK2CSF1RNTRK3

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 NTRK1 307/4885NTRK2 376/4885JAK2 245/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 NTRK1 413/4885NTRK2 720/4885JAK2 40/4885

“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.