SCHEMBL3214388

SCHEMBL3214388

O=c1cc(Oc2cccc(NCc3ccc(-n4ccnc4)cc3)c2)c2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.45
IDH1 O75874 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
BRAF P15056 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
AR P10275 1/20 0.37
PORCN Q9H237 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP4Z1 Q86W10 1/20 0.36
CCNE1 P24864 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
SCHEMBL13429262 0.85 F2 (0.46) CACNA1BLMNAMEN1GAAKMT2A
SCHEMBL3219003 0.83 BRAF (0.48) CACNA1BMEN1GAAKMT2ABRAF
SCHEMBL3214639 0.81 SMN1; SMN2 (0.49) LMNAMAPK1MEN1GAAKMT2A
SCHEMBL3222698 0.80 ALDH1A1 (0.43) MEN1GAAKMT2ACYP3A4CYP2D6
SCHEMBL13428999 0.80 CACNA1B (0.50) CACNA1BMEN1GAAKMT2ABRAF
SCHEMBL13429368 0.77 MEN1 (0.42) CACNA1BMEN1GAAKMT2ABRAF
SCHEMBL3221532 0.77 GAA (0.41) CACNA1BMEN1GAAKMT2ABRAF
SCHEMBL3213960 0.77 MEN1 (0.40) MEN1GAAKMT2ABRAFAR
SCHEMBL3227033 0.77 MEN1 (0.40) CACNA1BMEN1GAAKMT2ABRAF
SCHEMBL13429248 0.77 EPHX1 (0.45) MEN1GAAKMT2AARFGFR1

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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US claimed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA CACNA1B 4574/4885IDH1 490/4885LMNA 4098/4885

“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.