SCHEMBL2970468

SCHEMBL2970468

CC(C)n1c(=O)[nH]c2ccc(F)cc21

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.78
POLB P06746 1/20 0.60
DAO P14920 2/20 0.58
MAOB P27338 1/20 0.52
B3GNT2 Q9NY97 1/20 0.46
FEN1 P39748 1/20 0.44

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
SCHEMBL29464129 1.00 PGR (0.78) PGRPOLBDAOMAOBB3GNT2
SCHEMBL28836860 0.91 PGR (0.67) PGRPOLBDAOMAOBB3GNT2
SCHEMBL4084714 0.87 PGR (0.64) PGRPOLBDAOMAOBFEN1
SCHEMBL9601771 0.84 PGR (0.57) PGRPOLBDAOMAOBFEN1
SCHEMBL2975327 0.81 POLB (0.62) PGRPOLBDAOMAOBB3GNT2
SCHEMBL17807767 0.81 MAOB (0.68) PGRPOLBMAOBB3GNT2
SCHEMBL29414802 0.80 PGR (0.60) PGRPOLBMAOBB3GNT2
SCHEMBL20987129 0.80 PGR (0.60) PGRPOLBMAOBB3GNT2
SCHEMBL2968866 0.80 PGR (0.72) PGRPOLBDAOMAOBB3GNT2
SCHEMBL2966714 0.79 PGR (0.66) PGRPOLBDAOMAOBB3GNT2

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 12 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
EP-1664036-B1 BENZIMIDAZOLONE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2011-12-28 EP disclosed
US-20100273794-A1 Benzimidazolone Compounds Having 5-HT4 Receptor Agonistic Activity PFIZER INC. (US) 2010-10-28 US disclosed
US-7776885-B2 Benzimidazolone compounds having 5-HT4 receptor agonistic activity PFIZER, INC. (US) 2010-08-17 US disclosed
US-20050148573-A1 Benzimidazolone compounds having 5-HT4 receptor agonistic activity PFIZER INC. 2005-07-07 US disclosed
US-5534521-A SEROTONIN ANTAGONISTS G. D. SEARLE & CO. (US) 1996-07-09 US disclosed
US-5521193-A SEROTONIN AGONISTS AND ANTAGONISTS G. D. SEARLE & CO. (US) 1996-05-28 US disclosed
US-5280028-A Containing ketone structure in position2 G. D. SEARLE & CO. (US) 1994-01-18 US 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 (5 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 PGR 1522/4885POLB 1360/4885DAO 1342/4885
US-20200165227-A1 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, KRAS PGR 1522/4885POLB 1360/4885DAO 1342/4885
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof EGFR, ERBB2, KRAS PGR 1522/4885POLB 1360/4885DAO 1342/4885
US-20050148573-A1 Benzimidazolone compounds having 5-HT4 receptor agonistic activity HTR4, GPR4, HTR5A PGR 2397/4885POLB 4732/4885DAO 2801/4885
US-20100273794-A1 Benzimidazolone Compounds Having 5-HT4 Receptor Agonistic Activity HTR4, GPR4, HTR5A PGR 2397/4885POLB 4732/4885DAO 2801/4885

“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.