SCHEMBL4913178

SCHEMBL4913178

Nc1nc2c(N)c(-c3ccccc3)ccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.46
PI4KA P42356 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
PDPK1 O15530 1/20 0.46
PDE10A Q9Y233 1/20 0.46
MAPT P10636 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 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
SCHEMBL4916103 0.83 ALDH1A1 (0.47) PIK3CAPI4KAPI4KBALDH1A1SMN1; SMN2
SCHEMBL1806582 0.81 ALDH1A1 (0.56) PIK3CAPI4KAPI4KBALDH1A1SMN1; SMN2
SCHEMBL4917472 0.80 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL20067062 0.80 TLR8 (0.46) PIK3CAPI4KAPI4KBALDH1A1SMN1; SMN2
SCHEMBL18137167 0.77 NTRK1 (0.42) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL18131120 0.77 NTRK1 (0.43) ALDH1A1MAPTTDP1KDM4EGAA
SCHEMBL4918805 0.76 PIK3CA (0.50) PIK3CAPI4KAPI4KBALDH1A1SMN1; SMN2
SCHEMBL6118333 0.74 SMN1; SMN2 (0.59) PIK3CAALDH1A1SMN1; SMN2LMNAPDPK1
SCHEMBL11510237 0.73 HSD17B10 (0.60) PIK3CAPI4KAPI4KBALDH1A1SMN1; SMN2
SCHEMBL4919115 0.72 SMN1; SMN2 (0.44) PIK3CAPI4KAPI4KBALDH1A1SMN1; SMN2

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 4 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 claimed
WO-2007121154-A2 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 WO claimed
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 PIK3CA 515/4885PI4KA 364/4885PI4KB 306/4885

“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.