SCHEMBL12764352

SCHEMBL12764352

Cc1cccc(C(=O)Nc2ccnc(N3CCOCC3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 11/20 0.61
▸ BRAF P15056 11/20 0.61
▸ PIK3CD O00329 1/20 0.56
▸ PIK3CA P42336 1/20 0.56
▸ PIK3CB P42338 1/20 0.56
▸ MAPT P10636 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ MAPK13 O15264 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ MAPK14 Q16539 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ NT5E P21589 1/20 0.55

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
SCHEMBL12763857 0.91 MAPK13 (0.61) RAF1BRAFPIK3CAMAPTCYP1A2
SCHEMBL12764389 0.90 NT5E (0.59) BRAFMAPTNPC1RAB9AMAPK14
SCHEMBL1517272 0.88 RAF1 (0.57) RAF1BRAFPIK3CAMAPTMAPK13
SCHEMBL12764316 0.81 MAPT (0.65) MAPTNPC1RAB9AMAPK14ALDH1A1
SCHEMBL7692421 0.81 MAPK13 (0.60) RAF1BRAFPIK3CAMAPK13NPC1
SCHEMBL12764085 0.81 MAPK14 (0.69) RAF1BRAFMAPK13MAPK14
SCHEMBL12764344 0.81 MEN1 (0.57) RAF1CYP1A2CYP2C19MAPK14ALDH1A1
SCHEMBL4833700 0.80 MAPK13 (0.61) RAF1BRAFPIK3CAMAPK13NPC1
SCHEMBL12764356 0.80 ALDH1A1 (0.57) RAF1CYP1A2CYP2C19RAB9AMAPK14
SCHEMBL12764351 0.79 MAPT (0.62) MAPTNPC1RAB9AMAPK14ALDH1A1

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-7906522-B2 2-aminoquinazoline derivatives KYOWA HAKKO KIRIN CO., LTD (JP) 2011-03-15 — — US disclosed
US-20090137583-A1 2-AMINOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-28 — — 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-20090137583-A1 2-AMINOQUINAZOLINE DERIVATIVES SLC7A1, SLC38A7, PRMT7 RAF1 780/4885BRAF 1985/4885PIK3CD 4106/4885

“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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