SCHEMBL3301604

SCHEMBL3301604

COCCOc1cc2ncnc(I)c2cc1OCCOC

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.58
EGFR P00533 4/20 0.53
GAK O14976 1/20 0.53
KDR P35968 2/20 0.50
FLT1 P17948 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
SCHEMBL13523340 0.82 KDM1A (0.58) KDM1AEGFRGAKKDR
SCHEMBL19933282 0.81 ENPP1 (0.53) EGFRGAKKDRFLT1
SCHEMBL29736163 0.81 KDM1A (0.57) KDM1AEGFRGAKKDR
SCHEMBL2221126 0.81 KDM1A (0.57) KDM1AEGFRGAKKDR
SCHEMBL163465 0.81 ENPP1 (0.71) KDM1AEGFRGAKKDRFLT1
SCHEMBL1983663 0.81 KDM1A (0.64) KDM1AEGFRGAKKDR
SCHEMBL1985866 0.81 KDM1A (0.57) KDM1AEGFRGAKKDR
SCHEMBL29478510 0.81 ENPP1 (0.71) KDM1AEGFRGAKKDRFLT1
SCHEMBL471137 0.81 KDM1A (0.57) KDM1AEGFRGAKKDRFLT1
Hydrochloric Acid SCHEMBL8307436 0.79 ENPP1 (0.69) KDM1AEGFRGAKKDRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139868-B1 PROCESS FOR PREPARATION OF ERLOTINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS CIPLA LTD (IN) 2015-07-29 EP claimed
US-8642758-B2 Process for preparation of erlotinib and its pharmaceutically acceptable salts CIPLA LIMITED (IN) 2014-02-04 US claimed
US-20100094004-A1 Process for Preparation of Erlotinib and its Pharmaceutically Acceptable Salts CIPLA LIMITED (IN) 2010-04-15 US claimed
EP-2139868-A2 PROCESS FOR PREPARATION OF ERLOTINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS Cipla Limited (IN) 2010-01-06 EP claimed
WO-2008122776-A2 PROCESS FOR PREPARATION OF ERLOTINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS CIPLA LIMITED (IN) 2008-10-16 WO claimed
EP-2139868-B1 PROCESS FOR PREPARATION OF ERLOTINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS CIPLA LTD (IN) 2015-07-29 EP disclosed
US-20140194624-A1 Process for Preparation of Erlotinib and its Pharmaceutically Acceptable Salts CIPLA LIMITED (IN) 2014-07-10 US disclosed
US-8642758-B2 Process for preparation of erlotinib and its pharmaceutically acceptable salts CIPLA LIMITED (IN) 2014-02-04 US disclosed
US-20100094004-A1 Process for Preparation of Erlotinib and its Pharmaceutically Acceptable Salts CIPLA LIMITED (IN) 2010-04-15 US disclosed
EP-2139868-A2 PROCESS FOR PREPARATION OF ERLOTINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS Cipla Limited (IN) 2010-01-06 EP disclosed
WO-2008122776-A2 PROCESS FOR PREPARATION OF ERLOTINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS CIPLA LIMITED (IN) 2008-10-16 WO 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-20140194624-A1 Process for Preparation of Erlotinib and its Pharmaceutically Acceptable Salts ABL1, EGFR, KRAS KDM1A 3703/4885EGFR 2/4885GAK 2303/4885
US-20100094004-A1 Process for Preparation of Erlotinib and its Pharmaceutically Acceptable Salts ABL1, EGFR, KRAS KDM1A 3534/4885EGFR 2/4885GAK 2020/4885

“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.