SCHEMBL160934

SCHEMBL160934

N#CNC(=N)Nc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ABCC9 O60706 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
KCNJ11 Q14654 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MDM2 Q00987 1/20 0.45
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL8854243 0.86 ABCC9 (0.40) CYP3A4CYP2C9CYP2C19CYP1A2ALOX15
SCHEMBL18520538 0.80 CYP1A2 (0.46) CYP3A4CYP2C19CYP1A2HSD17B10ABCC9
SCHEMBL4259667 0.80 CYP1A2 (0.46) CYP3A4CYP2C19CYP1A2HSD17B10ABCC9
SCHEMBL4657670 0.79 LMNA (0.54) CYP3A4CYP1A2MAPK1HIF1AABCC9
SCHEMBL13523189 0.78 GAA (0.43) CYP3A4NFKB1MAPK1ABCC9ALDH1A1
SCHEMBL9274303 0.77 MDM2 (0.67) CYP3A4CYP2C9CYP2C19CYP1A2ALOX15
SCHEMBL8914513 0.77 EPHX1 (0.51) CYP3A4CYP2C9CYP2C19CYP1A2ALOX15
SCHEMBL11236635 0.77 TDP1 (0.44) CYP3A4CYP2C19CYP1A2ABCC9ALDH1A1
SCHEMBL1108190 0.77 MAPT (0.47) NFKB1ALDH1A1LMNAGLAKDM4E
SCHEMBL8898313 0.74 SMN1; SMN2 (0.52) CYP3A4CYP2C19HSD17B10ALDH1A1KDM4E

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
US-9676721-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2017-06-13 US disclosed
US-20130295051-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2013-11-07 US disclosed
EP-2611778-A1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031199-A1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO 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-20130295051-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CYP3A4 2406/4885CYP2C9 2114/4885CYP2C19 2814/4885

“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.