Sugi Predict

Sugi Predict / Compounds / SCHEMBL3587428

SCHEMBL3587428

SCHEMBL3587428

CCCC(CCC)N1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL24507522 0.91 MC4R (0.41) MC4RIDO1HRH3CHRM2CHRM4
SCHEMBL25921483 0.91 MC4R (0.41) MC4RIDO1HRH3CHRM2CHRM4
SCHEMBL26178209 0.91 MC4R (0.38) MC4RIDO1HRH3CHRM2CHRM4
SCHEMBL3588742 0.91 MC4R (0.38) MC4RIDO1HRH3CHRM2CHRM4
SCHEMBL24799343 0.89 MC4R (0.36) MC4RIDO1HRH3KDM4EALDH1A1
SCHEMBL24418758 0.87 IDO1 (0.50) MC4RIDO1HRH3CHRM2CHRM4
SCHEMBL23987733 0.84 HRH3 (0.35) MC4RIDO1HRH3KDM4EALDH1A1
SCHEMBL3587426 0.83 MC4R (0.35) MC4RIDO1
SCHEMBL3597765 0.83 MC4R (0.35) MC4RIDO1
SCHEMBL26805399 0.83 SIGMAR1 (0.35) MC4RIDO1CHRM2ADRA2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 — — US disclosed
WO-2023142754-A1 EZH1/2 INHIBITOR, PREPARATION THEREOF, AND USE THEREOF IN ANTI-TUMOR THERAPY 江苏天士力帝益药业有限公司 2023-08-03 — — WO disclosed
EP-4186901-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY Cytosinlab Therapeutics Co., Ltd. (CN) 2023-05-31 — — EP disclosed
EP-4166553-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-04-19 — — EP disclosed
WO-2023030388-A1 5-FLUORO-7H-PYRROLO[2,3-D] PYRIMIDINES COMPOUND AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2023-03-09 — — WO disclosed
WO-2022002100-A1 NOVEL BENZIMIDAZOLE COMPOUND 微境生物医药科技(上海)有限公司 2022-01-06 — — WO disclosed
WO-2021104441-A1 POLYAROMATIC COMPOUND AS EGFR KINASE INHIBITOR 江苏先声药业有限公司 2021-06-03 — — WO disclosed
WO-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 — — WO disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 — — EP disclosed
US-10202372-B2 Trisubstituted pyrido[2,3-D]pyrimidines, methods for preparing same and therapeutic uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2019-02-12 — — US disclosed
WO-2017216563-A1 TREATMENT OF VASCULAR CALCIFICATION CAMBRIDGE ENTERPRISE LIMITED (GB) 2017-12-21 — — WO disclosed
EP-2885297-B1 TRISUBSTITUTED PYRIDO[3,2-D]PYRIMIDINES, THEIR PREPARATION PROCESS AND THEIR THERAPEUTICAL USES CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-10-11 — — EP disclosed
US-20150352124-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2015-12-10 — — US disclosed
US-20150352124-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2015-12-10 — — US disclosed
US-20150203489-A1 TRISUBSTITUTED PYRIDO[2,3-D]PYRIMIDINES, METHODS FOR PREPARING SAME AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2015-07-23 — — US disclosed
US-20150203489-A1 TRISUBSTITUTED PYRIDO[2,3-D]PYRIMIDINES, METHODS FOR PREPARING SAME AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2015-07-23 — — US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 — — US disclosed
EP-1749821-A1 Quaternary ammonium salts of substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-07 — — 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 (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-20150352124-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR MC4R 2733/4885IDO1 2768/4885HRH3 210/4885
US-20150203489-A1 TRISUBSTITUTED PYRIDO[2,3-D]PYRIMIDINES, METHODS FOR PREPARING SAME AND THERAPEUTIC USES THEREOF DPYD, TYMP, RRM2B MC4R 3307/4885IDO1 1433/4885HRH3 186/4885
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY FLT3, ERBB2, ABL1 MC4R 2421/4885IDO1 1548/4885HRH3 2242/4885
US-10202372-B2 Trisubstituted pyrido[2,3-D]pyrimidines, methods for preparing same and therapeutic uses thereof DPYD, TYMP, RRM2B MC4R 3307/4885IDO1 1433/4885HRH3 186/4885
US-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN MC4R 3945/4885IDO1 459/4885HRH3 3567/4885

“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.