SCHEMBL6836832

SCHEMBL6836832

COc1cc2ncnc(-c3ccccc3-c3ccccc3)c2cc1OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.62
KIT P10721 3/20 0.55
RET P07949 1/20 0.53
KDR P35968 1/20 0.53
WHR1 P49842 1/20 0.52
CSF1R P07333 3/20 0.52
LCK P06239 2/20 0.52
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
ATM Q13315 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
KRAS P01116 1/20 0.49
SOS1 Q07889 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL4782102 0.88 WHR1 (0.61) EGFRKITRETKDRWHR1
SCHEMBL6181412 0.83 EGFR (0.63) EGFRKITRETKDRWHR1
SCHEMBL6182383 0.82 EGFR (0.56) EGFRKITRETKDRCSF1R
SCHEMBL4725258 0.80 KDM1A (0.57) EGFRKITRETKDRWHR1
SCHEMBL27436541 0.80 KIT (0.52) EGFRKITRETKDRCSF1R
SCHEMBL1264612 0.78 KIT (0.60) EGFRKITKDRCSF1RLCK
SCHEMBL8709390 0.77 EGFR (0.67) EGFRKITKDRLCKPDGFRB
SCHEMBL4725216 0.77 EGFR (0.58) EGFRKITRETKDRWHR1
SCHEMBL4727998 0.77 EGFR (0.58) EGFRKITRETKDRWHR1
Hydrochloric Acid SCHEMBL8503409 0.76 EGFR (0.67) EGFRKITKDRLCKKDM4E

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-20040014774-A1 Aryl and heteroaryl quinazoline compounds which inhibit CSF-1R receptor tyrosine kinase AVENTIS PHARMACEUTICALS INC. 2004-01-22 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-20040014774-A1 Aryl and heteroaryl quinazoline compounds which inhibit CSF-1R receptor tyrosine kinase CSF1R, CSF3R, FLT3 EGFR 628/4885KIT 24/4885RET 124/4885

“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.