SCHEMBL2180718

SCHEMBL2180718

O=c1[nH]c(=O)c2ncnnc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.50
CASP6 P55212 1/20 0.50
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
BLM P54132 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PMP22 Q01453 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ADORA2B P29275 2/20 0.42
PABPC1 P11940 1/20 0.42
ADORA2A P29274 1/20 0.42
RAB9A P51151 1/20 0.42
CASP7 P55210 1/20 0.42
GDA Q9Y2T3 2/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RPS6KA3 P51812 3/20 0.41

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
SCHEMBL932546 0.72 KDM4E (0.46) KDM4EALDH1A1CYP1A2CYP2C19BLM
SCHEMBL29545868 0.72 KDM4E (0.46) KDM4EALDH1A1CYP1A2CYP2C19BLM
Hydrochloric Acid SCHEMBL28868510 0.71 KDM4E (0.44) KDM4EALDH1A1CYP1A2CYP2C19BLM
Hydrochloric Acid SCHEMBL30431695 0.71 KDM4E (0.44) KDM4EALDH1A1CYP1A2CYP2C19BLM
Water SCHEMBL6479622 0.71 KDM4E (0.44) KDM4EALDH1A1CYP1A2CYP2C19BLM
SCHEMBL5443522 0.65 RPS6KA3 (0.60) CASP6KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL5442977 0.65 KDM4E (0.60) CASP6KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL5309140 0.65 KDM4E (0.53) CASP6KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL31214551 0.64 MAPT (0.62) CASP6KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL3261597 0.64 KDM4E (0.46) CASP6KDM4EALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010072807-A2 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2010-07-01 WO claimed
EP-0407888-B1 Pyrimido[5,4-e]-as-triazine-5,7(6H,8H)-diones used to control undesirable plant growth BASF AG (DE) 1994-03-09 EP claimed
EP-0407888-A1 Pyrimido[5,4-e]-as-triazine-5,7(6H,8H)-diones used to control undesirable plant growth BASF Aktiengesellschaft (DE) 1991-01-16 EP claimed
EP-4613274-A1 SENOLYTIC COMPOUNDS Freie Universität Berlin (DE) 2025-09-10 EP disclosed
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
EP-4129282-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-02-08 EP disclosed
EP-4129282-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-02-08 EP disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
EP-2010514-B1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2010-12-29 EP disclosed
US-7737144-B2 Pyrimido[5,4-e][1,2,4]triazine-5-7-diones, processes for preparing them and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-15 US disclosed
WO-2004065387-A1 PYRIMIDO[5,4-E][1,2,4]TRIAZINE-5,7-DIONES, METHODS FOR PRODUCING THE SAME AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-05 WO disclosed
WO-2004065387-A1 PYRIMIDO[5,4-E][1,2,4]TRIAZINE-5,7-DIONES, METHODS FOR PRODUCING THE SAME AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-05 WO disclosed
EP-0407888-B1 Pyrimido[5,4-e]-as-triazine-5,7(6H,8H)-diones used to control undesirable plant growth BASF AG (DE) 1994-03-09 EP disclosed
EP-0407888-B1 Pyrimido[5,4-e]-as-triazine-5,7(6H,8H)-diones used to control undesirable plant growth BASF AG (DE) 1994-03-09 EP disclosed
US-5069708-A PRE-AND POSTEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
US-5069708-A PRE-AND POSTEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
US-5069708-A PRE-AND POSTEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
EP-0407888-A1 Pyrimido[5,4-e]-as-triazine-5,7(6H,8H)-diones used to control undesirable plant growth BASF Aktiengesellschaft (DE) 1991-01-16 EP disclosed
EP-0407888-A1 Pyrimido[5,4-e]-as-triazine-5,7(6H,8H)-diones used to control undesirable plant growth BASF Aktiengesellschaft (DE) 1991-01-16 EP 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 (2 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 APAF1 196/4885CASP6 281/4885KDM4E 2362/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR APAF1 3065/4885CASP6 1130/4885KDM4E 4180/4885

“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.