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SCHEMBL2178751

SCHEMBL2178751

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.42
▸ PIK3CA P42336 4/20 0.39
▸ PIK3CG P48736 3/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ CTSL P07711 2/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ NCOR1 O75376 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ DYRK1A Q13627 2/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ CTSB P07858 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ TACR3 P29371 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ MKNK1 Q9BUB5 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
SCHEMBL6128573 0.88 CLK4 (0.50) AAK1HDAC3NCOR1HDAC2DYRK1A
SCHEMBL6128605 0.87 HDAC3 (0.41) AAK1PIK3CAPIK3CGPIK3CBHDAC3
SCHEMBL2178148 0.87 HSD17B1 (0.46) PIK3CAPIK3CGPIK3CBHDAC3NCOR1
SCHEMBL12488448 0.86 CTSL (0.38) AAK1PIK3CACTSLDYRK1AMAP4K1
SCHEMBL6128558 0.86 CCNT1 (0.45) AAK1HDAC3NCOR1HDAC2DYRK1A
SCHEMBL6128713 0.86 DYRK1A (0.48) AAK1PIK3CAPIK3CGPIK3CBHDAC3
SCHEMBL6128577 0.86 MKNK1 (0.47) AAK1HDAC3NCOR1HDAC2DYRK1A
SCHEMBL6128756 0.85 KMT2A (0.43) AAK1HDAC3NCOR1HDAC2DYRK1A
SCHEMBL6128561 0.84 DYRK1A (0.47) AAK1CTSLHDAC3NCOR1HDAC2
SCHEMBL6128578 0.84 AAK1 (0.42) AAK1HDAC3NCOR1HDAC2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 — — 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
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

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 AAK1 3194/4885PIK3CA 338/4885PIK3CG 1889/4885

“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.