SCHEMBL3896

SCHEMBL3896

Sc1ncc2[nH]cnc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
CDK2 P24941 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PAK1 Q13153 1/20 0.44
CCNT1 O60563 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
POLA1 P09884 1/20 0.37
SCD O00767 2/20 0.32
PDPK1 O15530 1/20 0.31
GDA Q9Y2T3 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
Water SCHEMBL316720 0.98 ALDH1A1 (0.57) ALDH1A1KDM4ECDK2RXFP1PAK1
Hydrochloric Acid SCHEMBL28253846 0.98 ALDH1A1 (0.57) ALDH1A1KDM4ECDK2RXFP1PAK1
Ammonia Solution, Strong SCHEMBL27831351 0.98 ALDH1A1 (0.57) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL671499 0.98 ALDH1A1 (0.57) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL11039497 0.98 ALDH1A1 (0.57) ALDH1A1KDM4ECDK2RXFP1PAK1
Pyrimidine SCHEMBL29199390 0.88 ALDH1A1 (0.47) ALDH1A1KDM4ECDK2RXFP1PAK1
Purine SCHEMBL5315439 0.88 ALDH1A1 (0.47) ALDH1A1KDM4ECDK2RXFP1PAK1
Imidazole SCHEMBL28111160 0.85 ALDH1A1 (0.45) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL16752071 0.83 KDM4E (0.44) ALDH1A1KDM4ECDK2RXFP1PAK1
Mercaptopurine Anhydrous SCHEMBL5534039 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ECDK2RXFP1PAK1

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

Appears in 114886 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3607938-B1 PHARMACEUTICAL COMPOSITION SOVIC BRKICIC LJILJANA (HR) 2026-05-27 EP claimed
EP-4747263-A1 LIPID NANOPARTICLES AND USES THEREOF University of Connecticut (US) 2026-05-27 EP claimed
EP-4748859-A2 CHEMICALLY AND PHOTOCHEMICALLY INITIATED CELL MEMBRANE BLEBBING TO INDUCE CELL VESICLE PRODUCTION, MODIFICATIONS THEREOF, AND USES THEREOF The Regents of the University of California (US) 2026-05-27 EP claimed
CN-116209439-B Cereblon protein modulators Saint Jude Children's Research Hospital Ltd. (US) 2026-05-26 CN claimed
CN-122075497-A Use of NLRP3 agonist for tumor treatment 2026-05-26 CN claimed
US-20260137700-A1 PHARMACEUTICAL COMBINATION OF PRMT5 INHIBITOR AND DNA DAMAGE-INDUCING SUBSTANCE SK BIOPHARMACEUTICALS CO LTD (KR) 2026-05-21 US claimed
US-20260139320-A1 StarTrace: A Multiplex Drug Testing Platform for Personalized Medicine UNIV OF SOUTH CAROLINA (US) 2026-05-21 US claimed
WO-2026107377-A1 PHARMACOLOGICAL RE-ACTIVATION OF MUTANT PVHL KARANICOLAS JOHN (US) 2026-05-21 WO claimed
US-20260141455-A1 LOCATION BASED DATABASE SYSTEM DASHBOARDS EXPRESS SCRIPTS STRATEGIC DEV INC (US) 2026-05-21 US claimed
WO-2026107140-A1 METHODS FOR INDUCING ALLOGENEIC TISSUE ANTIGEN TOLERANCE WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2026-05-21 WO claimed
EP-0073490-B1 DIHYDROTHIAZOLE-PURINES Newport Pharmaceuticals International, Inc. (US) 1986-04-30 EP claimed
EP-0081882-B1 MEDICINE HAVING TRANSPLANT REJECTION AND/OR IMMUNOLOGICAL INFLAMMATION INHIBITING ACTIVITIES, AS WELL AS A METHOD FOR INHIBITING TRANSPLANT REJECTION AND/OR IMMUNOLOGICAL INFLAMMATION Erasmus Universiteit Rotterdam (NL) 1986-04-16 EP claimed
EP-0169618-A2 Method for making uniformly sized particles from water-insoluble organic compounds STERILIZATION TECHNICAL SERVICES, Inc. (US) 1986-01-29 EP claimed
EP-0120907-A1 PHARMACEUTICAL PREPARATIONS FOR USE IN ANTITUMOUR THERAPY Aston Molecules Limited (GB) 1984-10-10 EP claimed
US-4452794-A MIXTURE OF A PROSTAGLANDIN DERIVATIVE AND A CORTICOSTEROID OR A MERCAPTOPURINE ERASMUS UNIVERSITEIT ROTTERDAM (NL) 1984-06-05 US claimed
WO-1984001506-A1 PHARMACEUTICAL PREPARATIONS FOR USE IN ANTITUMOUR THERAPY UNIV BIRMINGHAM (GB) 1984-04-26 WO claimed
EP-0081882-A1 Medicine having transplant rejection and/or immunological inflammation inhibiting activities, as well as a method for inhibiting transplant rejection and/or immunological inflammation Erasmus Universiteit Rotterdam (NL) 1983-06-22 EP claimed
EP-0010964-A1 Ravidomycin, process of preparation and pharmaceutical compositions containing same AYERST, MCKENNA AND HARRISON INC. (CA) 1980-05-14 EP claimed
US-4075021-A COMPOUND WHICH RELEASES A SUBSTANCE WHICH PROMOTES BLEACHING OF DEVELOPED SILVER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1978-02-21 US claimed
US-3939089-A PEROXYSULFATE TOKAI DENKA KOGYO KABUSHIKI KAISHA (JA) 1976-02-17 US claimed