SCHEMBL19239591

SCHEMBL19239591

C=CC(=O)Nc1cc(Nc2nc(-c3ccn(C)c3)c3cc[nH]c3n2)c(OC)cc1N1CCC(N(C)C)CC1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.74

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
SCHEMBL19239590 0.93 EGFR (0.82) EGFR
SCHEMBL19239592 0.91 EGFR (0.82) EGFR
SCHEMBL17466972 0.91 EGFR (0.87) EGFR
SCHEMBL19239598 0.89 EGFR (0.82) EGFR
SCHEMBL19239595 0.88 EGFR (0.78) EGFR
SCHEMBL17466976 0.86 EGFR (0.70) EGFR
SCHEMBL17059236 0.85 EGFR (1.00) EGFR
SCHEMBL18369569 0.85 EGFR (0.85) EGFR
SCHEMBL17467216 0.84 EGFR (1.00) EGFR
SCHEMBL18369567 0.83 EGFR (0.82) 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 4341/4885

“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.