SCHEMBL5889134

SCHEMBL5889134

Clc1cc(Nc2nccs2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 4/20 0.39
USP2 O75604 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
MKNK1 Q9BUB5 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.37
PLA2G7 Q13093 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CSF1R P07333 1/20 0.36
LTK P29376 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 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
SCHEMBL18809726 0.77 FDPS (0.38) NPC1SMN1; SMN2LMNAMAPTESR2
SCHEMBL26686536 0.76 MAPT (0.49) NPC1SMN1; SMN2LMNAMAPTUSP2
SCHEMBL2066542 0.76 KMT2A (0.40) NPC1SMN1; SMN2LMNAMAPTUSP2
SCHEMBL13472455 0.74 KMO (0.49) NPC1SMN1; SMN2LMNAMAPTESR2
SCHEMBL21593124 0.72 TRPM5 (0.41) NPC1USP2HSD17B10KMT2AMEN1
SCHEMBL4397422 0.72 KMT2A (0.51) SMN1; SMN2LMNAMAPTUSP2ESR2
SCHEMBL1369210 0.72 ALDH1A1 (0.50) NPC1SMN1; SMN2LMNAMAPTHSD17B10
SCHEMBL15641477 0.71 KDR (0.50) NPC1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL5095315 0.71 PLA2G7 (0.40) SMN1; SMN2LMNAMAPTUSP2ESR2
SCHEMBL3529580 0.71 ALDH1A1 (0.47) NPC1SMN1; SMN2LMNAMAPTHSD17B10

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-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 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-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 NPC1 3497/4885SMN1; SMN2 4473/4885LMNA 3751/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 NPC1 3497/4885SMN1; SMN2 4473/4885LMNA 3751/4885

“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.