SCHEMBL12401938

SCHEMBL12401938

Nc1nc2c(F)cc(C=O)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
HSD17B10 Q99714 1/20 0.41
NSD1 Q96L73 2/20 0.39
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AXL P30530 1/20 0.38
GFER P55789 1/20 0.38
PDPK1 O15530 1/20 0.34
PDE10A Q9Y233 1/20 0.34
NSD2 O96028 1/20 0.33
NSD3 Q9BZ95 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL2274086 0.81 RAB9A (0.39) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL21091281 0.80 NSD1 (0.58) ALDH1A1LMNASMN1; SMN2HSD17B10NSD1
SCHEMBL474219 0.77 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2HSD17B10NSD1
SCHEMBL2314657 0.74 NSD1 (0.64) ALDH1A1LMNASMN1; SMN2HSD17B10NSD1
SCHEMBL14044812 0.74 HSD17B10 (0.68) ALDH1A1LMNASMN1; SMN2HSD17B10NSD1
SCHEMBL2273350 0.73 MEN1 (0.42) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL23196210 0.72 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2HSD17B10NSD1
SCHEMBL21396110 0.72 HSD17B10 (0.38) ALDH1A1LMNASMN1; SMN2HSD17B10NSD1
SCHEMBL19627252 0.71 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2HSD17B10NSD1
SCHEMBL20633445 0.71 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HSD17B10NSD1

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-7994337-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-05-07 US disclosed
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 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-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS GRK2, MAPK9, MAPK1 ALDH1A1 2753/4885LMNA 3666/4885SMN1; SMN2 3443/4885

“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.