SCHEMBL16183524

SCHEMBL16183524

Cc1ccc(-c2nc(N)c3cc(-c4cccc(F)c4)ccc3n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 7/20 0.55
▸ NT5E P21589 2/20 0.46
▸ DPP4 P27487 1/20 0.43
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ GBA1 P04062 1/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ CHEK2 O96017 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ SSTR2 P30874 1/20 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
SCHEMBL14474998 0.86 ABCG2 (0.55) MAP4K4NT5EDPP4ADORA2AADORA1
SCHEMBL18023076 0.85 POLB (0.49) MAP4K4ADORA2AADORA1PIK3CDPIK3CA
SCHEMBL16183519 0.82 MAP4K4 (0.58) MAP4K4NT5EDPP4ADORA2AADORA1
SCHEMBL16183523 0.80 CYP1A2 (0.49) ADORA2AADORA1GBA1PIK3CDPIK3CA
SCHEMBL14475050 0.78 CYP1A2 (0.54) MAP4K4ADORA2AADORA1GBA1PIK3CD
SCHEMBL10165304 0.77 TAAR1 (0.50) MAP4K4PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL14475037 0.73 MEN1 (0.59) MAP4K4ADORA2AADORA1GBA1PIK3CD
SCHEMBL14475173 0.73 PDE5A (0.49) ADORA2AADORA1GBA1CYP1A2ABCG2
SCHEMBL14475593 0.72 MEN1 (0.54) ADORA2AADORA1GBA1PIK3CDPIK3CA
SCHEMBL14475168 0.72 PIK3CA (0.49) MAP4K4ADORA2AADORA1PIK3CDPIK3CA

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 MAP4K4 635/4885NT5E 1533/4885DPP4 2341/4885

“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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