SCHEMBL19239596

SCHEMBL19239596

C=CC(=O)Nc1cc(Nc2nc(N3CCCCC3)c3cc[nH]c3n2)c(OC)cc1N(C)CCN(C)C

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.87
KCNH2 Q12809 2/20 0.56

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
SCHEMBL17466926 0.93 EGFR (1.00) EGFRKCNH2
SCHEMBL18369584 0.85 EGFR (0.65) EGFR
SCHEMBL18369581 0.83 EGFR (0.70) EGFR
SCHEMBL26474276 0.83 EGFR (0.74) EGFRKCNH2
SCHEMBL17467210 0.83 EGFR (1.00) EGFRKCNH2
SCHEMBL29943943 0.83 EGFR (0.71) EGFRKCNH2
SCHEMBL26103898 0.83 EGFR (0.71) EGFRKCNH2
SCHEMBL17467212 0.83 EGFR (0.71) EGFRKCNH2
SCHEMBL17467214 0.82 EGFR (0.75) EGFRKCNH2
SCHEMBL17467207 0.82 EGFR (1.00) EGFR

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
US-9890168-B2 2,4-disubstituted 7H-pyrrolo[2,3-d]pyrimidine derivative, preparation method and medicinal use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2018-02-13 US disclosed
US-20170233395-A1 2,4-DISUBSTITUTED 7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND MEDICINAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-08-17 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-20170233395-A1 2,4-DISUBSTITUTED 7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND MEDICINAL USE THEREOF TYMP, TPMT, TYMS EGFR 4341/4885KCNH2 2174/4885

“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.