SCHEMBL3237315

SCHEMBL3237315

C=CCNc1nc(NCC=C)nc(NCC=C)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
GBA1 P04062 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.40
HTR2A P28223 1/20 0.39

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
SCHEMBL11834474 0.88 GAA (0.46) GAAGBA1POLBKMT2AMEN1
SCHEMBL2268712 0.88 POLB (0.46) GAAGBA1POLBKMT2AMEN1
SCHEMBL4856408 0.88 KMT2A (0.61) GAAGBA1POLBKMT2AMEN1
SCHEMBL23808297 0.88 GBA1 (0.46) GAAGBA1POLBKMT2AMEN1
SCHEMBL11195162 0.88 GAA (0.46) GAAGBA1POLBKMT2AMEN1
SCHEMBL23234198 0.88 GBA1 (0.46) GAAGBA1POLBKMT2AMEN1
SCHEMBL9619229 0.86 GAA (0.44) GAAGBA1POLBKMT2AMEN1
SCHEMBL7696373 0.83 GAA (0.42) GAAGBA1POLBKMT2AMEN1
SCHEMBL10639499 0.83 GAA (0.46) GAAGBA1POLBKMT2AMEN1
SCHEMBL7529140 0.83 GAA (0.46) GAAGBA1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900795-A PHOTOPOLMERIZABLE POLYMER COMPRISING ETHYLENE, (METH)ACRYLIC ACID AND VINYL OR ACRYLATE MONOMER NEUTRALIZED BY A CYCLIC AMINE OR HYDROXY-CONTAINING AMINE; PHOTORESISTS; PRINTING PLATES; OZONE RESISTANCE; ELONGATION; TENSILE STRENGTH BASF AKTIENGESELLSCHAFT (DE) 1990-02-13 US claimed
US-4540650-A Photoresists suitable for forming relief structures of highly heat-resistant polymers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-09-10 US claimed
US-4230853-A FROM CYANURIC CHLORIDE AND ALKYLAMINES, OXIDATION RUMIANCA S.P.A. (IT) 1980-10-28 US claimed
US-4224444-A STEP-WISE REPLACEMENT OF TWO CHLORINE ATOMS FROM CYANURIC CHLORIDE RUMIANCA S.P.A. (IT) 1980-09-23 US claimed
US-4186265-A BY EXTRACTION WITH AQUEOUS ACID OR BY ACIDIFICATION OF ALKALINE FILTRATE FOLLOWED BY EXTRACTION WITH WATER-IMMISCIBLE SOLVENT CIBA-GEIGY CORPORATION (US) 1980-01-29 US claimed
US-4182875-A FROM CYANURIC CHLORIDE AND ALKYLAMINE, EVAPORATING EXCESS ALKYLAMINE UNDER PRESSURE NOT EXCEEDING 400 MILLIMETERS MERCURY RUMIANCA S.P.A. (IT) 1980-01-08 US claimed
US-20130053520-A1 CROSS-LINKING AGENT FOR CROSS-LINKABLE ELASTOMERS AND APPLICATION THEREOF NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2013-02-28 US disclosed
EP-2535371-A1 CROSS-LINKING AGENT FOR CROSS-LINKABLE ELASTOMERS AND APPLICATION THEREOF Nippon Kasei Chemical Co., Ltd. (JP) 2012-12-19 EP disclosed
US-7741390-B2 Coordination-polymeric triethanolamineperchlorato(triflato)metal inner complexes as additives for synthetic polymers ARTEMIS RESEARCH GMBH & CO. KG (DE) 2010-06-22 US disclosed
WO-2010003165-A1 VINYL-SUBSTITUTED MELAMINES JOHANNES KEPLER UNIVERSITAET LINZ (AT) 2010-01-14 WO disclosed
EP-2143717-A1 Vinyl-substituted melamines Johannes Kepler Universität Linz (AT) 2010-01-13 EP disclosed
US-20090131564-A1 COORDINATION-POLYMERIC TRIETHANOLAMINEPERCHLORATO(TRIFLATO)METAL INNER COMPLEXES AS ADDITIVES FOR SYNTHETIC POLYMERS IKA INNOVATIVE KUNSTSTOFFAUFBEREITUNG GMBH & CO. KG (DE) 2009-05-21 US disclosed
US-20090105387-A1 Coordination-polymeric triethanolamineperchlorato(triflato)metal inner complexes as additives for synthetic polymers ARTEMIS RESEARCH GMBH & CO. KG (DE) 2009-04-23 US disclosed
US-4182875-A FROM CYANURIC CHLORIDE AND ALKYLAMINE, EVAPORATING EXCESS ALKYLAMINE UNDER PRESSURE NOT EXCEEDING 400 MILLIMETERS MERCURY RUMIANCA S.P.A. (IT) 1980-01-08 US disclosed
US-4182874-A FROM CYANURIC CHLORIDE AND ALKYLAMINE, USE OF MONTMORILLONITE, PALIGORSKITE, VERMICULITE OR CHLORITE MINERAL RUMIANCA S.P.A. (IT) 1980-01-08 US disclosed
US-4182875-A FROM CYANURIC CHLORIDE AND ALKYLAMINE, EVAPORATING EXCESS ALKYLAMINE UNDER PRESSURE NOT EXCEEDING 400 MILLIMETERS MERCURY RUMIANCA S.P.A. (IT) 1980-01-08 US disclosed
EP-0005586-A1 2,4,6-Tris-(substituted-amino)-S-triazines, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-11-28 EP disclosed
US-4166909-A 2-CHLORO-4-ETHYLAMINO-6-ISOPROPYLAMINO-S-TRIAZINE BY SEQUENTIAL AMINATION OF CYANURIC CHLORIDE SHELL OIL COMPANY (US) 1979-09-04 US disclosed
EP-0003374-A1 Process for the preparation of a substituted triazine SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-08-08 EP disclosed
US-3943107-A Processable high temperature polymers prepared from amine terminated polymers and cyanamides of polyfunctional secondary amines CIBA-GEIGY CORPORATION (US) 1976-03-09 US 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 (1 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-20130053520-A1 CROSS-LINKING AGENT FOR CROSS-LINKABLE ELASTOMERS AND APPLICATION THEREOF TIMCC, TELO2, INO80C GAA 4425/4885GBA1 4787/4885POLB 1799/4885

“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.