SCHEMBL12200066

SCHEMBL12200066

COCc1ccc(CN(C)C)o1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.57
BCHE P06276 10/20 0.53
PRMT6 Q96LA8 1/20 0.47
CYP2A6 P11509 1/20 0.40
CYP2C19 P33261 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
SCHEMBL2458150 0.84 ACHE (0.74) ACHEBCHEPRMT6CYP2A6CYP2C19
SCHEMBL55096 0.84 DAO (0.38) ACHE
SCHEMBL10738937 0.76 PRMT6 (0.53) ACHEBCHEPRMT6CYP2A6CYP2C19
SCHEMBL19049630 0.76 ALOX5 (0.40)
SCHEMBL12655116 0.76 ACHE (0.63) ACHEBCHEPRMT6CYP2A6CYP2C19
SCHEMBL27597427 0.75 ACHE (0.52) ACHEBCHEPRMT6CYP2A6CYP2C19
SCHEMBL8610492 0.74 ACHE (0.61) ACHEBCHEPRMT6CYP2A6CYP2C19
SCHEMBL8011063 0.74 ACHE (0.61) ACHEBCHEPRMT6CYP2A6CYP2C19
SCHEMBL687459 0.74 ALDH1A1 (0.42) CYP2A6CYP2C19
SCHEMBL9839086 0.74 ACHE (0.61) ACHEBCHEPRMT6CYP2A6CYP2C19

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 4 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
US-20080300248-A1 Quinazoline Derivatives, Preparation Methods and Uses Thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2008-12-04 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 (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 ACHE 1407/4885BCHE 2612/4885PRMT6 3434/4885
US-20080300248-A1 Quinazoline Derivatives, Preparation Methods and Uses Thereof NQO2, AQP3, AQP1 ACHE 947/4885BCHE 2186/4885PRMT6 3192/4885

“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.