SCHEMBL4919115

SCHEMBL4919115

Nc1nc2c(-c3ccccc3)ccc(N)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 8/20 0.43
MAPT P10636 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PIK3CA P42336 1/20 0.39
PI4KA P42356 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
LIMK1 P53667 2/20 0.37
ADORA2B P29275 1/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL2276159 0.81 CYP3A4 (0.49) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL5505676 0.77 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTHSD17B10CYP3A4
SCHEMBL3060568 0.77 PDPK1 (0.47) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL1806582 0.74 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL3047058 0.73 CYP3A4 (0.51) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL4913178 0.72 PIK3CA (0.46) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL21089512 0.72 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL3286995 0.72 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL3285659 0.71 KMT2A (0.46) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL14860945 0.70 ASH1L (0.62) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293785-A1 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-27 US disclosed
WO-2007121154-A2 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 WO 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-20080293785-A1 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 SMN1; SMN2 3063/4885ALDH1A1 3676/4885MAPT 1314/4885

“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.