Sugi Predict

Sugi Predict / Compounds / SCHEMBL4623536

SCHEMBL4623536

SCHEMBL4623536

CCCNC1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.42
▸ NCF1 P14598 1/20 0.38
▸ OPRL1 P41146 3/20 0.38
▸ GNAI3 P08754 3/20 0.37
▸ GNAO1 P09471 3/20 0.37
▸ GNAI1 P63096 3/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ RAD52 P43351 1/20 0.36

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
SCHEMBL24204664 0.91 MEN1 (0.47) MEN1KMT2AMITFDPP7NCF1
SCHEMBL26042919 0.89 MEN1 (0.38) MEN1KMT2AMITFDPP7OPRL1
SCHEMBL13301319 0.87 GNAI3 (0.47) MEN1KMT2AMITFDPP7NCF1
SCHEMBL20210155 0.87 MEN1 (0.38) MEN1KMT2AMITFDPP7NCF1
SCHEMBL9698093 0.87 MEN1 (0.38) MEN1KMT2AMITFDPP7NCF1
SCHEMBL23641956 0.87 MEN1 (0.38) MEN1KMT2AMITFDPP7NCF1
SCHEMBL25448549 0.85 GNAI3 (0.55) MEN1KMT2AMITFDPP7GNAI3
SCHEMBL24803090 0.84 GNAI3 (0.58) GNAI3GNAO1GNAI1
SCHEMBL21949297 0.84 GNAI3 (0.58) GNAI3GNAO1GNAI1
SCHEMBL31066880 0.84 GNAI3 (0.58) GNAI3GNAO1GNAI1

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
WO-2023098730-A1 COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL 正大天晴药业集团股份有限公司 2023-06-08 — — WO disclosed
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 — — US disclosed
WO-2020150674-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2020-07-23 — — WO disclosed
US-9815834-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-11-14 — — US disclosed
US-9567334-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-14 — — US disclosed
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-08-11 — — US disclosed
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-07-14 — — US disclosed
US-9290507-B2 B-RAF kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-22 — — US disclosed
US-8865703-B2 Pyridyltriazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 — — US disclosed
US-20130225562-A1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 — — US disclosed
US-20130190286-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-25 — — US disclosed
WO-2011117381-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 — — WO disclosed
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 — — US disclosed
CN-101243071-A 2, 4-dianilinopyrimidine derivatives, their preparation, their use as medicaments, pharmaceutical compositions and in particular as IKK inhibitors SANOFI AVENTIS (FR) 2008-08-13 — — CN disclosed
WO-2007038669-A9 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC 2008-05-29 — — WO disclosed
EP-1904479-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS Sanofi-Aventis (FR) 2008-04-02 — — EP disclosed
WO-2007038669-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2007-04-05 — — WO disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 — — WO 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 MEN1 3549/4885KMT2A 824/4885MITF 1164/4885
US-20130225562-A1 PYRIDYLTRIAZOLES CCNT1, CCNT2, MKI67 MEN1 455/4885KMT2A 1436/4885MITF 787/4885
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE MEN1 3980/4885KMT2A 1759/4885MITF 4071/4885
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 MEN1 3815/4885KMT2A 3486/4885MITF 1905/4885
US-20130190286-A1 B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF MEN1 869/4885KMT2A 1941/4885MITF 1092/4885
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 MEN1 3815/4885KMT2A 3486/4885MITF 1905/4885

“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.