SCHEMBL25066095

SCHEMBL25066095

BNC(=O)Nc1ccc(N)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 14/20 0.46
NAMPT P43490 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43

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
SCHEMBL28646189 0.82 CDK8 (0.46) CDK8NAMPTHDAC1HDAC6GABRP
SCHEMBL2446207 0.79 ALDH1A1 (0.53) CDK8HDAC1HDAC6GABRPGABRD
SCHEMBL1691584 0.79 GABRP (0.52) CDK8NAMPTHDAC1HDAC6GABRP
SCHEMBL29403604 0.78 SMN1; SMN2 (0.50) CDK8HDAC1HDAC6GABRPGABRD
SCHEMBL2446202 0.78 HDAC1 (0.46) CDK8NAMPTHDAC1HDAC6GABRP
SCHEMBL2081651 0.78 SMN1; SMN2 (0.50) CDK8HDAC1HDAC6GABRPGABRD
SCHEMBL18291750 0.76 GABRP (0.48) CDK8NAMPTHDAC1HDAC6GABRP
SCHEMBL27663662 0.75 SMN1; SMN2 (0.52) CDK8HDAC1HDAC6GABRPGABRD
SCHEMBL7930570 0.74 HDAC1 (0.48) HDAC1HDAC6GABRPGABRDGABRA1
SCHEMBL13814572 0.74 GABRP (0.42) CDK8NAMPTHDAC1HDAC6GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230058623-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-02-23 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-20230058623-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 CDK8 3717/4885NAMPT 3817/4885HDAC1 617/4885

“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.