SCHEMBL17467246

SCHEMBL17467246

COc1cc(N2CC(N(C)C)C2)c(N)cc1Nc1nc(-c2cnn(C)c2)c2ccn(COCC[Si](C)(C)C)c2n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.49
TTK P33981 4/20 0.39
PTK2 Q05397 2/20 0.38
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
INSR P06213 1/20 0.34
IGF1R P08069 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL17467223 0.90 EGFR (0.48) EGFRTTKPTK2INSRIGF1R
SCHEMBL17467231 0.90 EGFR (0.47) EGFRTTKPTK2CCNA2CDK2
SCHEMBL17467244 0.88 EGFR (0.68) EGFRINSRIGF1RKCNH2
SCHEMBL17467059 0.86 EGFR (0.49) EGFRTTKPTK2CCNA2CDK2
SCHEMBL17466973 0.81 EGFR (0.64) EGFR
SCHEMBL17467230 0.80 EGFR (0.46) EGFRTTKPTK2IGF1R
SCHEMBL17466920 0.78 TTK (0.39) EGFRTTKPTK2CCNA2CDK2
SCHEMBL17467052 0.78 EGFR (0.48) EGFRTTKPTK2CCNA2CDK2
SCHEMBL17467233 0.78 EGFR (0.67) EGFRIGF1RKCNH2
SCHEMBL17467225 0.76 EGFR (0.74) EGFRINSRIGF1RKCNH2

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 4341/4885TTK 1295/4885PTK2 4811/4885

“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.