Sugi Predict

Sugi Predict / Compounds / SCHEMBL2176307

SCHEMBL2176307

SCHEMBL2176307

CNc1nccc(-c2cc(NC(=O)CN(C)C)c3cc(OC)ccc3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.41
▸ HDAC3 O15379 1/20 0.38
▸ NCOR1 O75376 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ PIK3CA P42336 3/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ ABL1 P00519 2/20 0.37
▸ BCR P11274 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ AKT3 Q9Y243 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.36
▸ EGFR P00533 1/20 0.36

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
SCHEMBL6128693 0.90 EGFR (0.39) KDRABL1BCRMEN1KMT2A
SCHEMBL2178808 0.89 CASP2 (0.41) HDAC3NCOR1HDAC2PIK3CAPIK3CB
SCHEMBL6128772 0.89 NPC1 (0.44) HDAC3NCOR1HDAC2PIK3CAPIK3CB
SCHEMBL2178148 0.86 HSD17B1 (0.46) HDAC3NCOR1HDAC2PIK3CAPIK3CB
SCHEMBL6128802 0.86 HDAC3 (0.43) KDRHDAC3NCOR1HDAC2PIK3CA
SCHEMBL6128580 0.85 HDAC3 (0.40) HDAC3NCOR1HDAC2PIK3CAPIK3CB
SCHEMBL2175597 0.84 HDAC3 (0.39) HDAC3NCOR1HDAC2PIK3CAPIK3CB
SCHEMBL2176488 0.84 KMT2A (0.40) KDRMEN1KMT2AEGFR
SCHEMBL2179087 0.84 KMT2A (0.42) MEN1KMT2A
SCHEMBL6128782 0.84 HDAC3 (0.38) KDRHDAC3NCOR1HDAC2PIK3CA

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
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 — — US claimed
EP-2519519-A2 SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 — — EP disclosed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 — — US disclosed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 — — US disclosed
WO-2011082268-A2 SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS ARQULE INC. (US) 2011-07-07 — — WO disclosed
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 — — US disclosed
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 — — US disclosed
WO-2011082268-A2 SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS ARQULE INC. (US) 2011-07-07 — — 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-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds DPYD, TP53, TYMP KDR 2489/4885HDAC3 1641/4885NCOR1 418/4885

“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.