SCHEMBL3329628

SCHEMBL3329628

COc1cc2nc[nH]c(=O)c2cc1OCCCCl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.51
ENPP1 P22413 2/20 0.45
PARP1 P09874 7/20 0.42
CHEK1 O14757 2/20 0.42
PIM1 P11309 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RPS6KA3 P51812 1/20 0.42
DHFR P00374 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
IP6K1 Q92551 1/20 0.40
KDR P35968 2/20 0.39
AKT1 P31749 1/20 0.39
FLT3 P36888 1/20 0.39
PIM3 Q86V86 1/20 0.39
MKNK1 Q9BUB5 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
SCHEMBL4376398 1.00 SRC (0.51) SRCENPP1PARP1CHEK1PIM1
Hydrochloric Acid SCHEMBL27988002 0.99 SRC (0.50) SRCENPP1PARP1CHEK1PIM1
SCHEMBL4375769 0.96 SRC (0.50) SRCENPP1PARP1CHEK1PIM1
SCHEMBL664912 0.95 SRC (0.51) SRCENPP1PARP1CHEK1PIM1
SCHEMBL12310510 0.89 SRC (0.51) SRCENPP1PARP1CHEK1PIM1
SCHEMBL13299042 0.89 SRC (0.51) SRCENPP1PARP1CHEK1PIM1
SCHEMBL13787116 0.89 SRC (0.53) SRCENPP1PARP1CHEK1PIM1
SCHEMBL14690985 0.88 SRC (0.50) SRCENPP1PARP1CHEK1PIM1
SCHEMBL4297393 0.88 SRC (0.50) SRCENPP1PARP1CHEK1PIM1
SCHEMBL1780281 0.88 SRC (0.52) SRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477481-B1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE UBE INDUSTRIES (JP) 2009-07-22 EP claimed
US-20050080262-A1 Process for producing quinazolin-4-one derivative UBE INDUSTRIES, LTD. (JP) 2005-04-14 US claimed
EP-1477481-A1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE Ube Industries, Ltd. (JP) 2004-11-17 EP claimed
US-8367824-B2 Reacting anthranilic acid with formic acid compound in presence of a catalyst and solvent UBE INDUSTRIES LTD. (JP) 2013-02-05 US disclosed
US-8367824-B2 Reacting anthranilic acid with formic acid compound in presence of a catalyst and solvent UBE INDUSTRIES LTD. (JP) 2013-02-05 US disclosed
US-8350029-B2 Process for the preparation of gefitinib CIPLA LIMITED (IN) 2013-01-08 US disclosed
US-8350029-B2 Process for the preparation of gefitinib CIPLA LIMITED (IN) 2013-01-08 US disclosed
US-20100137586-A1 Process for the Preparation of Gefitinib CIPLA LIMITED (IN) 2010-06-03 US disclosed
US-20100137586-A1 Process for the Preparation of Gefitinib CIPLA LIMITED (IN) 2010-06-03 US disclosed
EP-2155656-A2 PROCESS FOR THE PREPARATION OF GEFITINIB Cipla Limited (IN) 2010-02-24 EP disclosed
EP-1477481-B1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE UBE INDUSTRIES (JP) 2009-07-22 EP disclosed
WO-2008125867-A2 PROCESS FOR THE PREPARATION OF GEFITINIB CIPLA LIMITED (IN) 2008-10-23 WO disclosed
US-20050080262-A1 Process for producing quinazolin-4-one derivative UBE INDUSTRIES, LTD. (JP) 2005-04-14 US disclosed
EP-1477481-A1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE Ube Industries, Ltd. (JP) 2004-11-17 EP 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-20100137586-A1 Process for the Preparation of Gefitinib EGFR, BRAF, KRAS SRC 243/4885ENPP1 3884/4885PARP1 1662/4885
US-20050080262-A1 Process for producing quinazolin-4-one derivative NQO2, SDHA, CYP3A4 SRC 2055/4885ENPP1 3684/4885PARP1 712/4885

“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.