SCHEMBL25569641

SCHEMBL25569641

CCc1nc(NC)cc(C)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 8/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.37
GLA P06280 1/20 0.37
ALDH1A1 P00352 6/20 0.37
KLK7 P49862 1/20 0.37
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
AURKA O14965 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL12841887 0.85 KDM4E (0.42) MAPK1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL12841778 0.80 MEN1 (0.58) MAPK1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL18055562 0.80 KDM4E (0.43) MAPK1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL12841863 0.80 KDM4E (0.51) MAPK1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3908276 0.79 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL23758044 0.77 L3MBTL1 (0.51) MAPK1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL11326931 0.69 MAPK8 (0.51) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL24855244 0.69 NOS3 (0.36) KDM4ENOS3NOS2
SCHEMBL12842064 0.69 KDM4E (0.43) MAPK1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL12841853 0.68 KMT2A (0.48) SMN1; SMN2KMT2AKDM4EALDH1A1RECQL

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-20230159470-A1 INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-05-25 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-20230159470-A1 INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF NNMT, NNT, NAMPT MAPK1 2945/4885SMN1; SMN2 1143/4885MEN1 1075/4885

“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.