Sugi Predict

Sugi Predict / Compounds / SCHEMBL2267731

SCHEMBL2267731

SCHEMBL2267731

O=c1ccn(-c2ccc(F)c(F)c2)nc1Cc1cccc(-c2ncc(O)cn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B13 Q7Z5P4 1/20 0.38
▸ MET P08581 3/20 0.34
▸ POLB P06746 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ APLNR P35414 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ PDPK1 O15530 1/20 0.31
▸ RXRA P19793 2/20 0.31
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ UBE2N P61088 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ FYN P06241 1/20 0.31

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
SCHEMBL13281992 0.91 HSD17B13 (0.39) HSD17B13MET
SCHEMBL13275092 0.90 GRIN2B (0.39) HSD17B13METAPLNRRXRAGRIN1
SCHEMBL2364675 0.88 MET (0.41) HSD17B13METPOLBFYN
SCHEMBL2272872 0.88 APLNR (0.36) METAPLNR
SCHEMBL13274630 0.86 MET (0.36) HSD17B13METCYP1A2CYP3A4CYP2D6
SCHEMBL2221164 0.85 PIK3CA (0.39) METGRIN1GRIN2B
SCHEMBL13274559 0.85 MET (0.43) METRXRAGRIN1GRIN2B
SCHEMBL13275209 0.84 CACNA1G (0.35) METRXRAGRIN1GRIN2B
SCHEMBL13275220 0.84 MET (0.34) METCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2365055 0.84 MET (0.48) METAPLNRRXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 — — EP claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — WO claimed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 — — EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — 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 (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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 HSD17B13 3914/4885MET 2/4885POLB 1954/4885

“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.