SCHEMBL16184763

SCHEMBL16184763

COc1cc(-c2ccc(F)cc2F)cc2c(N(C)C)nc(-c3cccnc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ GBA1 P04062 3/20 0.43
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ CYP11B1 P15538 3/20 0.39
▸ CYP11B2 P19099 3/20 0.39
▸ CYP17A1 P05093 2/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL16184779 0.92 ALDH1A1 (0.46) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL16184697 0.90 ALDH1A1 (0.50) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL16184765 0.89 GBA1 (0.53) ALDH1A1GBA1MAPTSMN1; SMN2ADRB2
SCHEMBL16184731 0.88 ALDH1A1 (0.49) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL16184714 0.87 ALDH1A1 (0.48) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL16184796 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL16184747 0.86 ALDH1A1 (0.46) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL16183494 0.85 CYP1A2 (0.46) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL16184812 0.84 ALDH1A1 (0.47) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL16184584 0.82 USP2 (0.43) ALDH1A1CYP3A4MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ALDH1A1 1687/4885CYP3A4 4456/4885MEN1 4814/4885

“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.

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