SCHEMBL2396667

SCHEMBL2396667

Cn1ccc(NC(N)=S)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 6/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 1/20 0.43
NOTUM Q6P988 1/20 0.41
MAPK1 P28482 1/20 0.40
GRM5 P41594 1/20 0.39
RAF1 P04049 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGDS O60760 1/20 0.36
TP53 P04637 1/20 0.36
TYR P14679 1/20 0.36
TSHR P16473 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
SCHEMBL9371077 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL12444121 0.81 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
Hydrochloric Acid SCHEMBL18131819 0.73 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL5629836 0.73 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL18542701 0.73 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL28620322 0.73 NPC1 (0.57) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL14380964 0.73
SCHEMBL19781551 0.72 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL10289302 0.72 NPC1 (0.62) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL21807641 0.72 NPC1 (0.69) SMN1; SMN2ALDH1A1KDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP disclosed
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2006-07-06 US disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 EP disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 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-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 SMN1; SMN2 3200/4885ALDH1A1 4017/4885KDM4E 1103/4885

“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.