SCHEMBL4882095

SCHEMBL4882095

COc1cccc2c(=O)n(-c3cc(N)ccc3C)cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.48
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATP4A P20648 6/20 0.43
ATP4B P51164 6/20 0.43
CYP19A1 P11511 1/20 0.40
NQO2 P16083 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39

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
SCHEMBL4889085 0.81 MAPK14 (0.51) BTKALDH1A1NPC1MAPTRAB9A
SCHEMBL4827730 0.78 MAPK14 (0.45) MAPK14
SCHEMBL4829534 0.78 POLB (0.51) BTKALDH1A1NPC1RAB9AKDM4E
SCHEMBL1140469 0.77 MAPK14 (0.61) NPSR1HPGDMAPK14
SCHEMBL24166879 0.72 HCAR1 (0.55) BTKALDH1A1NPC1MAPTRAB9A
SCHEMBL30656813 0.72 HCAR1 (0.55) BTKALDH1A1NPC1MAPTRAB9A
SCHEMBL31104438 0.71 HTR1A (0.48) ALDH1A1CYP19A1NQO2KDM4EHPGD
SCHEMBL23231088 0.71 HTR1A (0.48) ALDH1A1CYP19A1NQO2KDM4EHPGD
SCHEMBL4888503 0.70 BRAF (0.57) MAPK14
SCHEMBL4884233 0.70 HCAR1 (0.45) MAPK14

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-20080275022-A1 Substituted Quinazolones as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-11-06 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-20080275022-A1 Substituted Quinazolones as Anti-Cancer Agents BRAF, NRAS, RAF1 BTK 19/4885ALDH1A1 619/4885NPC1 4502/4885

“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.