SCHEMBL20357868

SCHEMBL20357868

CN(C)c1cnc(Cl)nc1-n1ccc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 6/20 0.47
▸ RPS6KA4 O75676 1/20 0.46
▸ BIRC5 O15392 1/20 0.42
▸ CDK2 P24941 2/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ DYRK1A Q13627 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ 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
SCHEMBL29464130 0.83 CDC7 (0.50) BIRC5CDK2SLC6A2CDC7ROCK1
SCHEMBL20357922 0.83 CDC7 (0.50) BIRC5CDK2SLC6A2CDC7ROCK1
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
SCHEMBL18585457 0.78 RPS6KA5 (0.47) 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 5 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

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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