SCHEMBL17229299

SCHEMBL17229299

CCCc1cc(N)nc(C)c1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 0.44
NOS3 P29474 9/20 0.44
NOS1 P29475 8/20 0.44
KLKB1 P03952 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL17229274 0.87 NOS2 (0.46) NOS2NOS3NOS1KLKB1
SCHEMBL19067633 0.83 IKBKB (0.34) NOS2NOS3NOS1KDM4E
SCHEMBL18310670 0.80 NOS2 (0.43) NOS2NOS3NOS1
SCHEMBL17229289 0.78 NOS2 (0.50) NOS2NOS3NOS1KLKB1
SCHEMBL18314725 0.75 NOS2 (0.48) NOS2NOS3NOS1
SCHEMBL17229305 0.75 NOS2 (0.47) NOS2NOS3NOS1KLKB1KDM4E
SCHEMBL17229310 0.73 NOS2 (0.42) NOS2NOS3NOS1KLKB1KDM4E
SCHEMBL17229350 0.72 NOS2 (0.45) NOS2NOS3NOS1KLKB1
SCHEMBL9607432 0.70 TLR8 (0.41) KDM4EALDH1A1
SCHEMBL18310645 0.70 NOS2 (0.43) NOS2NOS3NOS1KDM4EALDH1A1

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-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH NOS2 4129/4885NOS3 3599/4885NOS1 4104/4885

“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.