SCHEMBL4564370

SCHEMBL4564370

C=CC(O)c1cnccn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSP90AA1 P07900 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
BAZ2B Q9UIF8 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.32
MC4R P32245 1/20 0.32
ADRA1A P35348 1/20 0.32
MC3R P41968 1/20 0.32
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL28785775 0.76
SCHEMBL11788487 0.75 HSP90AA1 (0.33) HSP90AA1
SCHEMBL10715470 0.75 HSP90AA1 (0.33) HSP90AA1
SCHEMBL13397712 0.75 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2HSP90AA1LMNA
SCHEMBL4264233 0.75
SCHEMBL10715529 0.73 KDM4E (0.41) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL12203333 0.72 KDM4E (0.31) KDM4EHSP90AA1NAPRTHCAR2ADORA3
SCHEMBL12955046 0.71
SCHEMBL642416 0.71
SCHEMBL27977561 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1135243-A Fiber blend BASF AG (DE) 1996-11-06 CN claimed
JP-5246805-A None JP disclosed
CN-118184589-A Preparation process of deoxyfructosazine and application of deoxyfructosazine and fructosazine in cosmetics 大连理工大学 2024-06-14 CN disclosed
US-8198461-B2 Process for the preparation of 3-cyano-1,2,4-triazoles AMPAC FINE CHEMICALS LLC. (US) 2012-06-12 US disclosed
US-20090292122-A1 PROCESS FOR THE PREPARATION OF CYANO-SUBSTITUTED-NITROGEN-CONTAINING HETEROARYL COMPOUNDS AMPAC FINE CHEMICALS LLC (US) 2009-11-26 US disclosed
WO-2009137742-A1 PROCESS FOR THE PREPARATION OF CYANO-SUBSTITUTED-NITROGEN-CONTAINING HETEROARYL COMPOUNDS AMPAC FINE CHEMICALS LLC (US) 2009-11-12 WO disclosed
CN-1803779-A Method for purifying polyhydroxy alkyl pyrazine compound from browning reaction liquor CHANGSHA CIGARETTE FACTORY (CN) 2006-07-19 CN disclosed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US disclosed
CN-1135243-A Fiber blend BASF AG (DE) 1996-11-06 CN disclosed
JP-H05246805-A IMPROVER OF UNDERWATER CIRCUMSTANCE KYOTO KARITASU:KK 1993-09-24 JP disclosed
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 US disclosed
US-4151288-A ANTHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 US disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 US disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 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-20090292122-A1 PROCESS FOR THE PREPARATION OF CYANO-SUBSTITUTED-NITROGEN-CONTAINING HETEROARYL COMPOUNDS ASNS, NCL, NBAS KDM4E 1721/4885ALDH1A1 3567/4885SMN1; SMN2 2585/4885

“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.