SCHEMBL20357916

SCHEMBL20357916

O=c1n(-c2ccnc(Cl)n2)c2ccc(Cl)cc2n1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 1/20 0.44
▸ DRD2 P14416 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ PRKDC P78527 6/20 0.39
▸ PIK3CA P42336 5/20 0.39
▸ MTOR P42345 2/20 0.39
▸ CYP11B2 P19099 2/20 0.37
▸ CYP11B1 P15538 2/20 0.37
▸ MAP3K14 Q99558 3/20 0.37
▸ FAAH O00519 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MDM2 Q00987 1/20 0.33

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
SCHEMBL19337256 0.86 FAAH (0.42) SLC6A4PRKDCPIK3CAFAAHTRPV1
SCHEMBL20162205 0.80 MAP3K14 (0.42) MAT2ADRD2SLC6A4MAP3K14TRPV1
SCHEMBL28113924 0.73 CYP1A2 (0.38) MAT2ADRD2SLC6A4MAP3K14CDC7
SCHEMBL20162217 0.69 MEN1 (0.55) MAT2A
SCHEMBL20162212 0.68 HSD17B10 (0.38) MAP3K14TRPV1CDC7CDK2ROCK1
SCHEMBL18386902 0.68 CDC7 (0.38) TRPV1CDC7CDK2ROCK1TP53
SCHEMBL18386916 0.67 RPS6KA5 (0.47) TRPV1
SCHEMBL21980701 0.66 GRM2 (0.44) PRKDCPIK3CAMTORROCK1
SCHEMBL20357957 0.65 BCL6 (0.42) PRKDCPIK3CAMTORMAP3K14CDC7
SCHEMBL18585985 0.65 MAPK14 (0.36) CYP11B2CYP11B1TRPV1CDC7CDK2

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 MAT2A 2100/4885DRD2 2575/4885SLC6A4 1683/4885
US-20200165227-A1 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, KRAS MAT2A 2100/4885DRD2 2575/4885SLC6A4 1683/4885
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof EGFR, ERBB2, KRAS MAT2A 2100/4885DRD2 2575/4885SLC6A4 1683/4885

“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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