SCHEMBL12958654

SCHEMBL12958654

Cn1c(C(F)F)cc2cc(C#N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ IMPDH1 P20839 1/20 0.38
▸ BRPF1 P55201 8/20 0.37
▸ BRD1 O95696 6/20 0.37
▸ BRPF3 Q9ULD4 5/20 0.37
▸ BRD9 Q9H8M2 3/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ BRD7 Q9NPI1 1/20 0.36
▸ ALB P02768 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ CYP11B2 P19099 3/20 0.35
▸ CYP11B1 P15538 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ AR P10275 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
SCHEMBL10022422 0.85 BRPF1 (0.43) ENPP3CDC7IMPDH2IMPDH1BRPF1
SCHEMBL10053515 0.76 BRPF1 (0.45) ENPP3CDC7BRPF1BRD1BRPF3
SCHEMBL27969722 0.75 ENPP3 (0.42) ENPP3CDC7IMPDH2IMPDH1BRPF1
SCHEMBL28265765 0.75 ENPP3 (0.42) ENPP3CDC7IMPDH2IMPDH1BRPF1
SCHEMBL1113031 0.74 XDH (0.41) ENPP3CDC7BRPF1BRD1BRPF3
SCHEMBL11689499 0.73 KMT2A (0.60) ENPP3ALB
SCHEMBL4617249 0.73 KDM4E (0.60) ALBNTRK1
SCHEMBL6263704 0.72 BRPF1 (0.42) ENPP3CDC7BRPF1BRD1BRPF3
SCHEMBL1338266 0.72 CDC7 (0.40) ENPP3CDC7IMPDH2IMPDH1BRPF1
SCHEMBL10066950 0.72 CYP2A6 (0.44) ENPP3CDC7BRPF1BRD1BRPF3

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-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 — — 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-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 ENPP3 555/4885CDC7 2116/4885IMPDH2 3077/4885

“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.

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