SCHEMBL15401922

SCHEMBL15401922

CC(C)(O)CNC(=O)c1cnccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
PDE10A Q9Y233 5/20 0.43
CFTR P13569 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
TGFBR1 P36897 2/20 0.42
TGFBR2 P37173 1/20 0.42
ROCK2 O75116 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7453387 0.88 KDM4E (0.53) NAMPTPDE10ACFTRKDM4EALDH1A1
SCHEMBL18491204 0.84 L3MBTL1 (0.47) NAMPTKDM4EALDH1A1GLAGAA
SCHEMBL14917464 0.81 KDM4E (0.46) KDM4EALDH1A1GLAGAATDP1
SCHEMBL16879250 0.77 TGFBR1 (0.49) NAMPTCFTRKDM4EALDH1A1GLA
SCHEMBL21772099 0.77 TGFBR1 (0.49) NAMPTCFTRKDM4EALDH1A1GLA
Ammonia Solution, Strong SCHEMBL27706531 0.76 GAA (0.50) KDM4EALDH1A1GLAGAAROCK2
SCHEMBL1232259 0.76 GAA (0.50) KDM4EALDH1A1GLAGAAROCK2
SCHEMBL7455764 0.75 HTT (0.48) NAMPTPDE10AKDM4EALDH1A1GAA
SCHEMBL15402062 0.73 CFTR (0.51) NAMPTPDE10ACFTR
SCHEMBL15402013 0.73 KDM4E (0.56) NAMPTPDE10ACFTRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 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-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A NAMPT 500/4885PDE10A 1/4885CFTR 464/4885

“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.