SCHEMBL4177014

SCHEMBL4177014

Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 4/20 0.58
▸ RAF1 P04049 1/20 0.57
▸ YES1 P07947 1/20 0.57
▸ MAPK14 Q16539 11/20 0.56
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MAPT P10636 2/20 0.47

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
SCHEMBL4164155 0.87 BRAF (0.65) BRAFRAF1YES1MAPK14KDM4E
SCHEMBL4168270 0.85 MAPK14 (0.62) BRAFRAF1YES1MAPK14KDM4E
SCHEMBL4168731 0.82 MAPK14 (0.68) BRAFRAF1YES1MAPK14KDM4E
SCHEMBL4166616 0.82 BRAF (0.64) BRAFRAF1YES1MAPK14KDM4E
SCHEMBL4170220 0.82 MAPK14 (0.62) BRAFRAF1YES1MAPK14KDM4E
SCHEMBL27701740 0.82 BRAF (0.59) BRAFRAF1YES1MAPK14KDM4E
SCHEMBL27702012 0.81 BRAF (0.65) BRAFRAF1YES1MAPK14
SCHEMBL27682651 0.81 MAPK14 (0.62) BRAFRAF1YES1MAPK14KDM4E
SCHEMBL20133847 0.81 BRAF (0.69) BRAFRAF1YES1MAPK14KDM4E
SCHEMBL14691162 0.80 KDM4E (0.63) BRAFRAF1YES1MAPK14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163525-A1 SUBSTITUTED QUINAZOLINES WITH ANTI-CANCER ACTIVITY ASTRAZENECA AB (SE) 2009-06-25 — — US claimed

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-20090163525-A1 SUBSTITUTED QUINAZOLINES WITH ANTI-CANCER ACTIVITY BRAF, NRAS, RAF1 BRAF 1/4885RAF1 3/4885YES1 319/4885

“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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