SCHEMBL16183296

SCHEMBL16183296

CCOc1ccc2nc(-c3cccnc3)nc(N3CCc4cc(C)ccc43)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ GBA1 P04062 4/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ PDE5A O76074 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL16186332 0.91 ABCG2 (0.46) ALDH1A1MAPTGAAGBA1CYP19A1
SCHEMBL14474806 0.91 ALDH1A1 (0.43) ALDH1A1MAPTGAAGBA1CYP19A1
SCHEMBL14474106 0.91 ALDH1A1 (0.43) ALDH1A1MAPTGAAGBA1CYP19A1
SCHEMBL16183295 0.90 TUBB4A (0.49) ALDH1A1MAPTGAAGBA1CYP11B1
SCHEMBL16184106 0.89 ALDH1A1 (0.44) ALDH1A1MAPTGAAGBA1CYP19A1
SCHEMBL16186328 0.87 ABCG2 (0.48) ALDH1A1MAPTGAAGBA1CYP19A1
SCHEMBL16183344 0.86 GBA1 (0.47) ALDH1A1MAPTGAAGBA1CYP19A1
SCHEMBL14726327 0.85 ALDH1A1 (0.43) ALDH1A1MAPTGAAGBA1CYP19A1
SCHEMBL16183316 0.85 ALDH1A1 (0.43) ALDH1A1MAPTGAAGBA1CYP19A1
SCHEMBL16183300 0.85 GBA1 (0.46) ALDH1A1MAPTGAAGBA1LMNA

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 1687/4885MAPT 509/4885GAA 406/4885

“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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