SCHEMBL5564587

SCHEMBL5564587

COc1[c]cc2c(Cl)ncnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.48
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AURKA O14965 1/20 0.35
KDR P35968 2/20 0.35
FLT1 P17948 1/20 0.35
EGFR P00533 7/20 0.34
SRC P12931 4/20 0.34
LCK P06239 2/20 0.34
CSF1R P07333 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
RIPK2 O43353 1/20 0.34

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
SCHEMBL29359187 0.72 ENPP1 (0.81) ENPP1ALDH1A1KMT2AAURKAKDR
SCHEMBL364049 0.72 ENPP1 (0.81) ENPP1ALDH1A1KMT2AAURKAKDR
SCHEMBL20897595 0.72 KDR (0.45) KDREGFRLCKRETKIF5B
Hydrochloric Acid SCHEMBL3526531 0.70 ENPP1 (0.79) ENPP1AURKAKDRFLT1EGFR
SCHEMBL23716567 0.70 CCR1 (0.37) EGFRSRCLCKRIPK2GAK
SCHEMBL19874796 0.70 KDR (0.53) KDRFLT1EGFRSRCRET
SCHEMBL21219994 0.69 ENPP1 (0.50) ENPP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7807551 0.69 ENPP1 (0.67) ENPP1ALDH1A1KMT2AAURKAKDR
SCHEMBL144584 0.69 EGFR (0.54) ENPP1PDE4APDE4BPDE4CPDE4D
SCHEMBL29461134 0.69 EGFR (0.54) ENPP1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609875-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF N-(3-ETHYNYLPHENYL)-7-METHOXY-6-(3-MORPHOLINOPROPOXY) QUINAZOLIN -4-AMINE DIHYDROCHLORIDE NATCO PHARMA LTD (IN) 2021-10-20 EP claimed
US-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-08 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-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ABL1, ERBB2, LCK ENPP1 3434/4885PDE4A 3960/4885PDE4B 4154/4885

“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.