SCHEMBL612873

SCHEMBL612873

CN(C)CC(=O)Nc1nc2ccc(SC#N)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.48
SMN1; SMN2 Q16637 9/20 0.48
NPC1 O15118 8/20 0.48
TP53 P04637 5/20 0.48
DYRK1A Q13627 1/20 0.47
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 3/20 0.46
ACP1 P24666 2/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 1/20 0.45
CASP2 P42575 1/20 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
SCHEMBL12280295 0.85 CASP2 (0.59) RAB9ASMN1; SMN2NPC1TP53DYRK1A
SCHEMBL3409205 0.83 DYRK1A (0.67) RAB9ASMN1; SMN2NPC1DYRK1AHTT
SCHEMBL612851 0.83 RAB9A (0.55) RAB9ASMN1; SMN2NPC1TP53ALDH1A1
SCHEMBL1829706 0.82 DYRK1A (0.51) RAB9ASMN1; SMN2NPC1TP53DYRK1A
SCHEMBL6068007 0.81 ABL1 (0.60) RAB9ASMN1; SMN2NPC1DYRK1A
SCHEMBL1579299 0.78 CASP3 (0.62) RAB9ASMN1; SMN2NPC1DYRK1AALDH1A1
SCHEMBL11254531 0.78 MAPK1 (0.49) RAB9ASMN1; SMN2NPC1TP53ALDH1A1
SCHEMBL3405371 0.77 MET (0.56) RAB9ASMN1; SMN2NPC1DYRK1A
SCHEMBL19844609 0.77 CASP2 (0.74) RAB9ASMN1; SMN2NPC1TP53DYRK1A
SCHEMBL12280273 0.75 KMT2A (0.65) RAB9ASMN1; SMN2NPC1TP53DYRK1A

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-20120040987-A1 DERIVATIVES OF 6-(6-NH-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2012-02-16 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-20120040987-A1 DERIVATIVES OF 6-(6-NH-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS MET, NR1I2, NCOR2 RAB9A 3498/4885SMN1; SMN2 4306/4885NPC1 1777/4885

“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.