SCHEMBL855684

SCHEMBL855684

Nc1nc(Nc2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.62
ADORA2A P29274 2/20 0.62
ADORA2B P29275 2/20 0.62
ADORA1 P30542 2/20 0.62
POLB P06746 1/20 0.62
NPSR1 Q6W5P4 1/20 0.61
IDH2 P48735 1/20 0.59
KMT2A Q03164 5/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MAPT P10636 3/20 0.57
HTT P42858 2/20 0.57
CDK9 P50750 1/20 0.56
MEN1 O00255 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 3/20 0.55
ALOX15 P16050 3/20 0.55
TSHR P16473 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55

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
SCHEMBL19227719 1.00 ADORA3 (0.62) ADORA3ADORA2AADORA2BADORA1POLB
SCHEMBL29904021 0.90 NPSR1 (0.55) ADORA3ADORA2AADORA2BADORA1POLB
SCHEMBL16388466 0.90 SMN1; SMN2 (0.52) ADORA3ADORA2AADORA2BADORA1POLB
SCHEMBL16388458 0.90 NPSR1 (0.55) ADORA3ADORA2AADORA2BADORA1POLB
SCHEMBL19458839 0.89 GPR68 (0.67) ADORA3ADORA2AADORA2BADORA1POLB
SCHEMBL3734947 0.89 CDK9 (0.56) ADORA3ADORA2AADORA2BADORA1POLB
SCHEMBL27654265 0.89 NPC1 (0.54) ADORA3ADORA2AADORA2BADORA1POLB
SCHEMBL16388471 0.88 PDE5A (0.57) ADORA3ADORA2AADORA2BADORA1POLB
SCHEMBL16388467 0.88 TSHR (0.57) ADORA3ADORA2AADORA2BADORA1POLB
SCHEMBL11510185 0.87 IDH2 (0.74) ADORA2AADORA1IDH2KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US claimed
EP-2049497-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS Astex Therapeutics Limited (GB) 2009-04-22 EP claimed
WO-2006123165-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-11-23 WO claimed
EP-4647076-A2 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Les Laboratoires Servier (FR) 2025-11-12 EP disclosed
EP-3984997-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER LAB (FR) 2025-07-30 EP disclosed
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2023-08-10 US disclosed
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2023-08-10 US disclosed
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2023-08-10 US disclosed
CN-110894358-B Organic-inorganic hybrid composition, article and optical component comprising the same 三星电子株式会社 2023-07-28 CN disclosed
US-11505538-B1 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2022-11-22 US disclosed
US-11505538-B1 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2022-11-22 US disclosed
EP-2123710-A1 POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2009-11-25 EP disclosed
EP-2098568-A1 POLYACETAL RESIN COMPOSITION AND MOLDED ARTICLE THEREOF Polyplastics Co., Ltd. (JP) 2009-09-09 EP disclosed
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US disclosed
US-20090143506-A1 Aldehyde inhibitor composition and polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2009-06-04 US disclosed
EP-2049497-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS Astex Therapeutics Limited (GB) 2009-04-22 EP disclosed
EP-2036949-A1 POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2009-03-18 EP disclosed
WO-2006123165-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-11-23 WO disclosed
EP-1683838-A1 ALDEHYDE INHIBITOR COMPOSITION AND POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2006-07-26 EP disclosed
WO-2003037346-A1 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER CELL THERAPEUTICS, INC. (US) 2003-05-08 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 (3 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-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT ADORA3 3397/4885ADORA2A 1286/4885ADORA2B 2635/4885
US-11505538-B1 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT ADORA3 3397/4885ADORA2A 1286/4885ADORA2B 2635/4885
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors HSP90AB1, HSP90AB2P, HSP90B1 ADORA3 1151/4885ADORA2A 3112/4885ADORA2B 2272/4885

“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.