SCHEMBL1429031

SCHEMBL1429031

NCCNC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 9/20 0.50
GRM5 P41594 1/20 0.47
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 6/20 0.46
KDM4E B2RXH2 6/20 0.46
GLA P06280 6/20 0.46
HPGD P15428 6/20 0.46
CYP1A2 P05177 5/20 0.46
GAA P10253 3/20 0.46
CYP2D6 P10635 3/20 0.46
LMNA P02545 3/20 0.46
BLM P54132 3/20 0.46
TSHR P16473 3/20 0.46
FTO Q9C0B1 2/20 0.46
PLAU P00749 2/20 0.46
SLC22A1 O15245 1/20 0.46
HTR1A P08908 1/20 0.46
SLC9A1 P19634 1/20 0.46
MAOA P21397 1/20 0.46
ADORA2A P29274 1/20 0.46

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
SCHEMBL10462678 0.88 SCNN1A (0.41) SCNN1AGRM5ALDH1A1HSD17B10KDM4E
SCHEMBL27834090 0.88 SCNN1A (0.47) SCNN1AGRM5ALDH1A1HSD17B10KDM4E
SCHEMBL10463198 0.87 SCNN1A (0.41) SCNN1AGRM5ALDH1A1HSD17B10KDM4E
SCHEMBL2634478 0.86 KDM4E (0.44) ALDH1A1HSD17B10KDM4ECYP1A2LMNA
SCHEMBL16541800 0.85 SCNN1A (0.53) SCNN1AGRM5ALDH1A1HSD17B10KDM4E
SCHEMBL7293267 0.85 SCNN1A (0.44) SCNN1AGRM5ALDH1A1HSD17B10KDM4E
SCHEMBL10461284 0.84 SCNN1A (0.39) SCNN1AGRM5ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL10334228 0.84 SCNN1A (0.43) SCNN1AGRM5ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL2634079 0.84 KMT2A (0.44) ALDH1A1HSD17B10KDM4ECYP1A2LMNA
SCHEMBL1441745 0.84 SCNN1A (0.48) SCNN1AGRM5ALDH1A1HSD17B10KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201625-A1 Organic Comopunds NOVARTIS AG (CH) 2011-08-18 US disclosed
EP-2300010-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-03-30 EP disclosed
US-4906633-A Pyrazine amides ICI AMERICAS INC. (US) 1990-03-06 US disclosed
US-4803206-A Antihypertensive acylpyrazines SCHERING CORPORATION (US) 1989-02-07 US disclosed
EP-0293171-A1 Pyrazinamide derivatives ICI AMERICAS INC. (US) 1988-11-30 EP disclosed
EP-0086564-B1 ALKANOLAMINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-21 EP disclosed
US-4550111-A BETA-ADRENERGIC BLOCKING AGENTS; DIURETICS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-10-29 US disclosed
EP-0086564-A1 Alkanolamine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-24 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 (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-20110201625-A1 Organic Comopunds OR10J3, CFTR, CLIC1 SCNN1A 52/4885GRM5 3109/4885ALDH1A1 2244/4885

“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.