SCHEMBL14701602

SCHEMBL14701602

Cc1cnc2nc(C(C)C)cn2c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL798899 0.83 KDM5B (0.33) KDM5B
SCHEMBL14701746 0.80 KDM5B (0.32) KDM5B
SCHEMBL14701603 0.80 GRM5 (0.33) KDM5B
SCHEMBL12066721 0.76 PIK3CA (0.33)
SCHEMBL23571869 0.75 GPR139 (0.31)
SCHEMBL25125235 0.73 GRM5 (0.31)
SCHEMBL23571867 0.73 CDK4 (0.32)
SCHEMBL23572001 0.72 KDM5B (0.30) KDM5B
SCHEMBL798477 0.71 MCHR1 (0.35) NOS3NOS1NOS2
SCHEMBL12196880 0.70 ALDH1A1 (0.49)

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-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 KDM5B 3284/4885NOS3 3529/4885NOS1 2330/4885

“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.