Sugi Predict

Sugi Predict / Compounds / SCHEMBL350140

SCHEMBL350140

SCHEMBL350140

O=CNCc1nc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.61
▸ POLB P06746 2/20 0.54
▸ DDAH1 O94760 1/20 0.54
▸ GAA P10253 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ BCHE P06276 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ PDE10A Q9Y233 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ KLK1 P06870 1/20 0.48
▸ KLK5 Q9Y337 1/20 0.48

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
SCHEMBL21784357 0.86 PKM (0.54) PKMPOLBDDAH1GAASMN1; SMN2
SCHEMBL711507 0.84 PKM (0.71) PKMPOLBDDAH1GAASMN1; SMN2
SCHEMBL31734838 0.84 PKM (0.71) PKMPOLBDDAH1GAASMN1; SMN2
SCHEMBL4716249 0.81 POLB (0.66) POLBSMN1; SMN2RAB9AKDM4ECHRM1
Hydrochloric Acid SCHEMBL710491 0.81 PKM (0.72) PKMPOLBDDAH1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL710492 0.81 PKM (0.67) PKMPOLBDDAH1GAASMN1; SMN2
SCHEMBL370673 0.81 PKM (0.67) PKMPOLBDDAH1GAASMN1; SMN2
SCHEMBL21784319 0.80 PKM (0.54) PKMPOLBDDAH1GAASMN1; SMN2
SCHEMBL16695754 0.80 ALDH1A1 (0.62) POLBGAASMN1; SMN2RAB9AKDM4E
SCHEMBL21941037 0.79 PKM (0.69) PKMPOLBDDAH1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807274-B1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-07-27 — — EP disclosed
EP-3613738-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER Lead Discovery Center GmbH (DE) 2020-02-26 — — EP disclosed
EP-2275433-B1 METASTIN DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2017-06-07 — — EP disclosed
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 — — WO disclosed
EP-2576586-B1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 — — EP disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 — — US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 — — US disclosed
US-8592379-B2 Metastin derivative and use thereof KYOTO UNIVERSITY (JP) 2013-11-26 — — US disclosed
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 — — US disclosed
US-20120015868-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-19 — — US disclosed
EP-2081955-A1 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-29 — — EP disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 — — US disclosed
US-20080312155-A1 Metastin Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 — — US disclosed
WO-2008050897-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 — — WO disclosed
EP-1758932-A2 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-03-07 — — EP disclosed
US-20060241051-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 — — US disclosed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 — — WO disclosed
EP-1577323-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-09-21 — — EP disclosed
EP-1140864-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 — — EP disclosed
WO-2000035887-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARM CO (US) 2000-06-22 — — 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 (4 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-20120015868-A1 Metastin derivatives and use thereof MET, HGFAC, HGF PKM 3503/4885POLB 3751/4885DDAH1 3149/4885
US-20080312155-A1 Metastin Derivatives and Use Thereof GNRHR, SHBG, MEN1 PKM 3756/4885POLB 4459/4885DDAH1 2739/4885
US-20060241051-A1 Metastin derivatives and use thereof MET, HGFAC, HGF PKM 3503/4885POLB 3751/4885DDAH1 3149/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 PKM 1970/4885POLB 4836/4885DDAH1 3046/4885

“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.