SCHEMBL899803

SCHEMBL899803

CNC(=O)c1c(N2CCNCC2)cc(C)nc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB2 P07550 1/20 0.46
USP28 Q96RU2 7/20 0.38
USP25 Q9UHP3 4/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHEK1 O14757 2/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
IKBKB O14920 1/20 0.36
BRPF1 P55201 1/20 0.35

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
SCHEMBL25544563 0.76 MAPK8 (0.38) NCF1ADRB1ADRB2USP28HPGD
SCHEMBL900266 0.74 MEN1 (0.43) NCF1KDM4EUSP2HPGDHSD17B10
SCHEMBL900265 0.74 MEN1 (0.43) NCF1KDM4EUSP2HPGDHSD17B10
SCHEMBL29394098 0.74 PARP1 (0.48) ADRB1USP28USP25CHEK1
SCHEMBL22912735 0.74 PARP1 (0.48) ADRB1USP28USP25CHEK1
Hydrochloric Acid SCHEMBL25236649 0.73 PARP1 (0.48) ADRB1USP28USP25CHEK1
SCHEMBL30297084 0.73 IKBKB (0.38) NCF1ADRB1ADRB2USP28USP25
Hydrochloric Acid SCHEMBL30413282 0.73 PARP1 (0.48) ADRB1USP28USP25CHEK1
Hydrochloric Acid SCHEMBL29396466 0.73 PARP1 (0.48) ADRB1USP28USP25CHEK1
Hydrochloric Acid SCHEMBL27202730 0.73 PARP1 (0.48) ADRB1USP28USP25CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
EP-2621923-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 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 (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-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES PIGO, HNMT, PIGS NCF1 823/4885ADRB1 2373/4885ADRB2 1965/4885

“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.