SCHEMBL2507643

SCHEMBL2507643

CC(=O)Oc1ccc2ncnc(N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 18/20 0.55
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
F2 P00734 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1192693 0.83 MTNR1A (0.47) ALDH1A1F2GLAHPGD
SCHEMBL14537062 0.82 MAP4K4 (0.49) MAP4K4ALDH1A1
SCHEMBL535605 0.82 ALDH1A1 (0.44) ALDH1A1F2GLAHPGD
SCHEMBL17660982 0.81 MAP4K4 (0.57) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL30513773 0.81 MAP4K4 (0.57) MAP4K4PI4KAPI4K2BPI4K2API4KB
Hydrochloric Acid SCHEMBL8309056 0.81 ALDH1A1 (0.43) ALDH1A1F2GLAHPGD
SCHEMBL16199847 0.78 ALDH1A1 (0.42) ALDH1A1F2GLAHPGD
SCHEMBL20016533 0.78 IRAK4 (0.53) MAP4K4PI4KAPI4K2BPI4K2API4KB
Hydrochloric Acid SCHEMBL28325270 0.78 MAP4K4 (0.74) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL30513775 0.76 MAP4K4 (0.72) MAP4K4PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309563-B2 Quinazoline derivatives useful as anti-tumor medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2012-11-13 US disclosed
US-8044063-B2 Quinazoline derivatives useful as anti-tumor medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2011-10-25 US disclosed
US-20110245246-A1 Quinazoline Derivatives Useful as Anti-Tumor Medicament SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2011-10-06 US disclosed
EP-2248806-A2 Quinazoline derivatives as tyrosine kinase inhibitors Shanghai Allist Pharmaceuticals, Inc. (CN) 2010-11-10 EP disclosed
US-20080300248-A1 Quinazoline Derivatives, Preparation Methods and Uses Thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2008-12-04 US disclosed
EP-1990337-A1 QUINAZOLINE DERIVATIVES,PREPARATION METHODS AND USES THEREOF SHANGHAI ALLIST PHARMACEUTICAL., INC. (CN) 2008-11-12 EP 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 (2 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-20110245246-A1 Quinazoline Derivatives Useful as Anti-Tumor Medicament TP53, NQO2, TOP1 MAP4K4 1354/4885PI4KA 3182/4885PI4K2B 4138/4885
US-20080300248-A1 Quinazoline Derivatives, Preparation Methods and Uses Thereof NQO2, AQP3, AQP1 MAP4K4 1547/4885PI4KA 2687/4885PI4K2B 3595/4885

“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.