SCHEMBL21196014

SCHEMBL21196014

COc1c(F)c(C)c(F)c2[nH]ncc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
PTK2 Q05397 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
BRD4 O60885 2/20 0.33
LCK P06239 2/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
METAP2 P50579 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
DRD1 P21728 1/20 0.30

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
SCHEMBL21195832 0.75 HTT (0.37) HTTPTK2ALDH1A1METAP2
SCHEMBL24786481 0.71 BRD4 (0.35) KDM4EALDH1A1HPGDBRD4LCK
SCHEMBL17847965 0.71 KDM4E (0.33) HTTPTK2KDM4EALDH1A1HPGD
SCHEMBL29285140 0.68 LMNA (0.40) KDM4EALDH1A1HPGDBRD4LCK
SCHEMBL27185490 0.68 AXL (0.38) KDM4EALDH1A1HPGDBRD4LCK
SCHEMBL20577534 0.67 AXL (0.37) KDM4EALDH1A1HPGDBRD4LCK
SCHEMBL25241637 0.67 AXL (0.37) KDM4EALDH1A1HPGDBRD4LCK
SCHEMBL24597178 0.67 CA2 (0.42) KDM4EALDH1A1HPGDBRD4LCK
SCHEMBL31248181 0.66 METAP2 (0.37) HTTPTK2METAP2
SCHEMBL31243104 0.66 HTT (0.33) HTTPTK2METAP2

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
EP-3746435-B1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2022-08-03 EP disclosed
EP-3746435-B1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2022-08-03 EP disclosed
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents PFIZER INC. (US) 2020-05-26 US disclosed
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents PFIZER INC. (US) 2020-05-26 US disclosed
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-01 US disclosed
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-01 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-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents DPYD, PDXK, TYMP HTT 4448/4885PTK2 1985/4885KDM4E 3545/4885
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents DPYD, TYMP, TOP2A HTT 4062/4885PTK2 2277/4885KDM4E 2680/4885

“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.