SCHEMBL9909299

SCHEMBL9909299

COc1cc(C#N)ccc1-c1ccnc2ccc(C(=O)N=C(N)N)cc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.45
GAK O14976 2/20 0.41
RIPK2 O43353 2/20 0.41
COQ8A Q8NI60 2/20 0.41
NLK Q9UBE8 2/20 0.41
HTR5A P47898 4/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
PLAU P00749 1/20 0.39
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38
PDE5A O76074 1/20 0.38
CDK8 P49336 1/20 0.37
EGLN1 Q9GZT9 4/20 0.37

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
SCHEMBL12875034 0.91 SCN9A (0.43) SCN9AGAKRIPK2COQ8ANLK
SCHEMBL9909156 0.86 SCN9A (0.49) SCN9AGAKRIPK2COQ8ANLK
SCHEMBL9909208 0.85 SCN9A (0.51) SCN9AGAKRIPK2COQ8ANLK
SCHEMBL9909209 0.83 HTR5A (0.49) HTR5A
SCHEMBL9909242 0.83 HTR5A (0.59) SCN9AHTR5APLAUPDE5A
SCHEMBL9909205 0.82 HTR5A (0.42) HTR5A
SCHEMBL16494659 0.82 HTR5A (0.42) SCN9AHTR5APLAUAVPR2AVPR1A
SCHEMBL16509515 0.82 HTR5A (0.48) HTR5APLAU
SCHEMBL9909247 0.80 HTR5A (0.56) SCN9AHTR5APLAU
SCHEMBL9909294 0.78 HTR5A (0.59) HTR5APLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E SCN9A 412/4885GAK 1532/4885RIPK2 2038/4885

“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.