SCHEMBL17466964

SCHEMBL17466964

C=CC(=O)Nc1cc(Nc2nc(OC3CN(C(=O)OC(C)(C)C)C3)c3ccn(COCC[Si](C)(C)C)c3n2)c(OC)cc1N(C)CCN(C)C

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.65
EML4 Q9HC35 1/20 0.45
ALK Q9UM73 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL17467218 0.90 EGFR (0.68) EGFRKCNH2
SCHEMBL17466965 0.89 EGFR (0.67) EGFRKCNH2
SCHEMBL19239599 0.89 EGFR (0.82) EGFREML4ALK
SCHEMBL17467250 0.81 EGFR (0.66) EGFRKCNH2
SCHEMBL26473624 0.81 EGFR (0.55) EGFREML4ALK
SCHEMBL17466925 0.81 EGFR (0.70) EGFR
SCHEMBL17467219 0.80 EGFR (0.69) EGFR
SCHEMBL17467323 0.80 EGFR (0.58) EGFR
SCHEMBL19239601 0.79 EGFR (1.00) EGFREML4ALKKCNH2
SCHEMBL17467302 0.79 EGFR (0.68) 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 6 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-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
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
EP-3173412-A1 2,4-DISUBSTITUTED 7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND MEDICINAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2017-05-31 EP disclosed
WO-2016011979-A1 2,4-DISUBSTITUTED 7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND MEDICINAL USE THEREOF 上海海雁医药科技有限公司 2016-01-28 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 (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 4341/4885EML4 2106/4885ALK 1214/4885

“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.