SCHEMBL1702576

SCHEMBL1702576

CNNc1cccc(CN2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
NOS1 P29475 1/20 0.52
LMNA P02545 2/20 0.52
KDM1A O60341 1/20 0.49
RCOR1 Q9UKL0 1/20 0.49
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
HIF1A Q16665 2/20 0.45
EPAS1 Q99814 2/20 0.45
JAK2 O60674 2/20 0.45
JAK3 P52333 2/20 0.45

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
SCHEMBL4367879 0.88 NCF1 (0.60) NCF1SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL13946389 0.82 NCF1 (0.65) NCF1SMN1; SMN2ALDH1A1HTTKDM4E
Hydrochloric Acid SCHEMBL4192881 0.81 NCF1 (0.63) NCF1SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL11196105 0.81 NCF1 (0.83) NCF1SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL13883597 0.80 SMN1; SMN2 (0.58) NCF1SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL17754101 0.79 SMN1; SMN2 (0.63) NCF1SMN1; SMN2ALDH1A1HTTNOS1
SCHEMBL30577399 0.79 SMN1; SMN2 (0.63) NCF1SMN1; SMN2ALDH1A1HTTNOS1
SCHEMBL1037060 0.79 NCF1 (0.65) NCF1SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL14368311 0.78 NCF1 (0.56) NCF1SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL27705944 0.78 SMN1; SMN2 (0.53) NCF1SMN1; SMN2ALDH1A1HTTKDM4E

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-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-04-12 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-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CNKSR1, MOK, MAPK1 NCF1 1870/4885SMN1; SMN2 4215/4885ALDH1A1 1860/4885

“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.