Sugi Predict

Sugi Predict / Compounds / SCHEMBL6161469

SCHEMBL6161469

SCHEMBL6161469

O=c1[nH]c2cnccc2n1C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 7/20 0.55
▸ TNKS2 Q9H2K2 2/20 0.53
▸ JAK2 O60674 1/20 0.52
▸ JAK3 P52333 1/20 0.52
▸ DRD2 P14416 2/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ RPS6KA5 O75582 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ OPRL1 P41146 1/20 0.41

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
Bromide SCHEMBL1197758 0.99 TNKS (0.54) TNKSTNKS2JAK2JAK3DRD2
SCHEMBL6215045 0.91 TNKS (0.60) TNKSTNKS2DRD2KCNH2CYP3A4
SCHEMBL1198100 0.89 TNKS (0.53) TNKSTNKS2JAK2JAK3DRD2
SCHEMBL31285885 0.89 TNKS (0.53) TNKSTNKS2JAK2JAK3DRD2
SCHEMBL23952719 0.88 TNKS (0.55) TNKSTNKS2JAK2JAK3DRD2
Bromide SCHEMBL1198259 0.87 TNKS (0.52) TNKSTNKS2JAK2JAK3DRD2
SCHEMBL18465037 0.85 TNKS (0.49) TNKSTNKS2DRD2KCNH2CYP3A4
SCHEMBL16456311 0.84 TNKS (0.57) TNKSTNKS2JAK2JAK3DRD2
SCHEMBL13081097 0.84 DRD2 (0.54) TNKSTNKS2DRD2KCNH2CYP3A4
SCHEMBL16455972 0.84 TNKS (0.57) TNKSTNKS2JAK2JAK3DRD2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359610-A MENIN-MLL interaction inhibitors 生命医药有限责任公司 2024-07-19 — — CN disclosed
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2024-04-18 — — US disclosed
US-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 — — US disclosed
EP-4230627-A2 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2023-08-23 — — EP disclosed
EP-3512850-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2023-04-12 — — EP disclosed
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2021-06-17 — — US disclosed
US-10899758-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2021-01-26 — — US disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — WO disclosed
EP-3328859-B1 3-((4-ISOQUINOLIN-3-YL)METHYL)-1H-IMIDAZO[4,5-C]PYRIDIN-2(3H)-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) BOEHRINGER INGELHEIM INT (DE) 2020-06-03 — — EP disclosed
EP-3512850-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, Inc. (US) 2019-07-24 — — EP disclosed
US-7452903-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2008-11-18 — — US disclosed
US-20080280857-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-11-13 — — US disclosed
US-20080280857-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-11-13 — — US disclosed
US-20080090806-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-04-17 — — US disclosed
US-20070225272-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-09-27 — — US disclosed
US-7235545-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2007-06-26 — — US disclosed
US-20070111204-A1 Methods for detecting nucleic acid variations TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE 2007-05-17 — — US disclosed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 — — EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 — — US disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 — — 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 (8 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-20080090806-A1 Cgrp Receptor Antagonists CCKBR, BDKRB1, BDKRB2 TNKS 2047/4885TNKS2 2187/4885JAK2 2211/4885
US-20070111204-A1 Methods for detecting nucleic acid variations POLN, LIG4, NCL TNKS 1366/4885TNKS2 1652/4885JAK2 1588/4885
US-11739085-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 TNKS 2356/4885TNKS2 1885/4885JAK2 2757/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 TNKS 2356/4885TNKS2 1885/4885JAK2 2757/4885
US-20070225272-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 TNKS 2402/4885TNKS2 2321/4885JAK2 2243/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 TNKS 2356/4885TNKS2 1885/4885JAK2 2757/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 TNKS 2356/4885TNKS2 1885/4885JAK2 2757/4885
US-20080280857-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 TNKS 2402/4885TNKS2 2321/4885JAK2 2243/4885

“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.