SCHEMBL985587

SCHEMBL985587

CC(C)(O)CC(=O)NCCn1cc(O)c2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.78
ERBB2 P04626 19/20 0.78
ERBB3 P21860 12/20 0.78
ERBB4 Q15303 12/20 0.78
BMPR1B O00238 1/20 0.78
EPHB6 O15197 1/20 0.78
LCK P06239 1/20 0.78
LYN P07948 1/20 0.78
MET P08581 1/20 0.78
CSK P41240 1/20 0.78
MAP2K1 Q02750 1/20 0.78
MAP2K5 Q13163 1/20 0.78
AURKB Q96GD4 1/20 0.78
NLK Q9UBE8 1/20 0.78

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
SCHEMBL13042721 0.93 EGFR (0.67) EGFRERBB2ERBB3ERBB4BMPR1B
Tak-285 SCHEMBL29355721 0.88 EGFR (1.00) EGFRERBB2ERBB3ERBB4BMPR1B
Tak-285 SCHEMBL982278 0.88 EGFR (1.00) EGFRERBB2ERBB3ERBB4BMPR1B
Tak-285 SCHEMBL2747238 0.85 EGFR (0.95) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL20365459 0.82 EGFR (0.91) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL13226160 0.82 EGFR (0.90) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2747601 0.82 EGFR (0.90) EGFRERBB2ERBB3ERBB4BMPR1B
Hydrochloric Acid SCHEMBL3506802 0.82 EGFR (0.88) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2749509 0.81 EGFR (0.85) EGFRERBB2ERBB3ERBB4BMPR1B
SCHEMBL2749523 0.81 EGFR (0.90) EGFRERBB2ERBB3ERBB4BMPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003805-A1 CONCOMITANT DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20110003805-A1 CONCOMITANT DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20110003805-A1 CONCOMITANT DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
EP-2255830-A1 CONCOMITANT DRUG Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP 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 (1 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-20110003805-A1 CONCOMITANT DRUG ERBB2, MTOR, ERBB4 EGFR 6/4885ERBB2 1/4885ERBB3 4/4885

“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.