SCHEMBL3101583

SCHEMBL3101583

CC(C)CN1CCNC(C)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 11/20 0.46
PIK3CD O00329 4/20 0.39
XIAP P98170 8/20 0.36
CHRM1 P11229 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MLNR O43193 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL23714232 1.00 BIRC2 (0.46) BIRC2PIK3CDXIAPCHRM1HRH3
SCHEMBL27320502 0.84 BIRC2 (0.47) BIRC2XIAPMLNRCYP3A4
SCHEMBL8733534 0.84 BIRC2 (0.44) BIRC2XIAPCHRM1
SCHEMBL3109196 0.82 BIRC2 (0.42) BIRC2XIAPCHRM1MLNR
SCHEMBL17906594 0.82 BIRC2 (0.49) BIRC2XIAPCHRM1MLNRCYP3A4
SCHEMBL27341041 0.82 BIRC2 (0.49) BIRC2XIAPCHRM1MLNRCYP3A4
SCHEMBL13766678 0.82 BIRC2 (0.45) BIRC2XIAPCHRM1
SCHEMBL10730345 0.82 BIRC2 (0.45) BIRC2XIAPCHRM1
SCHEMBL3098422 0.81 BIRC2 (0.41) BIRC2XIAP
Hydrochloric Acid SCHEMBL27151220 0.80 BIRC2 (0.47) BIRC2XIAPCHRM1MLNRCYP3A4

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
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US claimed
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof NOVARTIS AG (CH) 2023-04-06 US claimed
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US disclosed
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof NOVARTIS AG (CH) 2023-04-06 US disclosed
US-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2022-06-07 US disclosed
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-05-06 US disclosed
EP-2204394-B1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS TOSOH CORP (JP) 2017-07-12 EP disclosed
US-8980965-B2 Method for producing polyester type flexible polyurethane foam, and catalyst composition to be used therefor TOSOH CORPORATION (JP) 2015-03-17 US disclosed
US-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US disclosed
US-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR TOSOH CORPORATION (JP) 2010-10-07 US disclosed
EP-2204394-A1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS Tosoh Corporation (JP) 2010-07-07 EP disclosed
EP-0049683-A2 Imidazo-rifamycines, process for their preparation, pharmaceutical preparations containing them and their use CIBA-GEIGY AG (CH) 1982-04-14 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 (6 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-11787785-B2 Pyrazolopyridine derivatives and uses thereof HBZ, ZFX, WIZ BIRC2 3369/4885PIK3CD 3833/4885XIAP 3039/4885
US-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors CDK4, CDK6, CDK2 BIRC2 3350/4885PIK3CD 336/4885XIAP 1046/4885
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof HBZ, ZFX, WIZ BIRC2 3369/4885PIK3CD 3833/4885XIAP 3039/4885
US-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR OR51E2, CYP4F11, FFAR3 BIRC2 2156/4885PIK3CD 2861/4885XIAP 4553/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A BIRC2 3878/4885PIK3CD 4021/4885XIAP 3241/4885
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF CDK4, CDK6, CDK1 BIRC2 3098/4885PIK3CD 288/4885XIAP 981/4885

“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.