SCHEMBL22147348

SCHEMBL22147348

CS/C(=N/C#N)Nc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCC9 O60706 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KCNJ11 Q14654 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MDM2 Q00987 1/20 0.41
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL161844 1.00 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL161843 1.00 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL13106903 0.87 RAF1 (0.42) MAPK1ALDH1A1LMNAKDM4EKMT2A
SCHEMBL162151 0.83 LMNA (0.52) CYP3A4CYP1A2MAPK1HIF1AABCC9
SCHEMBL162150 0.83 LMNA (0.52) CYP3A4CYP1A2MAPK1HIF1AABCC9
SCHEMBL13105581 0.82 IDO1 (0.46) CYP3A4MAPK1HSD17B10ABCC9ALDH1A1
SCHEMBL16471293 0.82 IDO1 (0.46) CYP3A4MAPK1HSD17B10ABCC9ALDH1A1
SCHEMBL15881324 0.82 SMARCA2 (0.43) KMT2AMEN1
SCHEMBL19069839 0.81 ALDH1A1 (0.41) CYP3A4CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL16013312 0.81 SMARCA2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES SEATTLE GENETICS, INC. (US) 2020-06-25 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 (2 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-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NAPRT, NNMT CYP3A4 4861/4885CYP1A2 4818/4885CYP2C9 4684/4885
US-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES NAMPT, NNMT, NADK CYP3A4 4804/4885CYP1A2 4723/4885CYP2C9 4269/4885

“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.