SCHEMBL18585457

SCHEMBL18585457

CNc1cnc(Cl)nc1-n1ccc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 9/20 0.47
▸ RPS6KA4 O75676 1/20 0.46
▸ BIRC5 O15392 1/20 0.42
▸ CDK2 P24941 2/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ PRKACG P22612 1/20 0.35
▸ PRKACB P22694 1/20 0.35
▸ PRKCH P24723 1/20 0.35
▸ PRKCI P41743 1/20 0.35

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
SCHEMBL18586078 0.81 RPS6KA5 (0.68) RPS6KA5RPS6KA4BIRC5CDK2CDC7
SCHEMBL30556253 0.81 RPS6KA5 (0.67) RPS6KA5RPS6KA4BIRC5CDK2CDC7
SCHEMBL19100350 0.81 RPS6KA5 (0.67) RPS6KA5RPS6KA4BIRC5CDK2CDC7
SCHEMBL5090434 0.78 RPS6KA5 (0.68) RPS6KA5RPS6KA4BIRC5CDK2CDC7
SCHEMBL30886751 0.78 RPS6KA5 (0.52) RPS6KA5RPS6KA4BIRC5CDK2CDC7
SCHEMBL20357808 0.78 RPS6KA5 (0.47) RPS6KA5RPS6KA4BIRC5CDK2CDC7
SCHEMBL20357868 0.78 RPS6KA5 (0.47) RPS6KA5RPS6KA4BIRC5CDK2CDC7
SCHEMBL17373179 0.76 RPS6KA5 (0.43) RPS6KA5RPS6KA4BIRC5CDK2MAPK8
SCHEMBL28612234 0.75 RPS6KA5 (0.46) RPS6KA5RPS6KA4BIRC5CDK2CDC7
SCHEMBL28617905 0.75 RPS6KA5 (0.47) RPS6KA5RPS6KA4BIRC5CDK2CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345900-B1 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF BEBETTER MED INC (CN) 2024-06-12 — — EP disclosed
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof BEBETTER MED INC. (CN) 2022-03-08 — — US disclosed
US-20200331891-A9 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD. (CN) 2020-10-22 — — US disclosed
US-20200165227-A1 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD. (CN) 2020-05-28 — — US disclosed
EP-3345900-A1 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF Guangzhou Bebetter Medicine Technology Co., Ltd. (CN) 2018-07-11 — — EP disclosed
CN-106117185-B 2,4 2 nitrogen-containing group substituted uracil compounds and its preparation method and application 广州必贝特医药技术有限公司 2017-11-07 — — CN disclosed
WO-2017036263-A1 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF 广州科擎新药开发有限公司 2017-03-09 — — WO disclosed
CN-106117185-A 2,4 2 nitrogen-containing group substituted pyrimidines compounds and its preparation method and application 广州科擎新药开发有限公司 2016-11-16 — — CN 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 (3 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-20200331891-A9 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, KRAS RPS6KA5 559/4885RPS6KA4 972/4885BIRC5 4089/4885
US-20200165227-A1 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, KRAS RPS6KA5 559/4885RPS6KA4 972/4885BIRC5 4089/4885
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof EGFR, ERBB2, KRAS RPS6KA5 559/4885RPS6KA4 972/4885BIRC5 4089/4885

“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.

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