SCHEMBL13262829

SCHEMBL13262829

Cn1nc(C(=O)NN)c2c1CC(C)(C)CC2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 3/20 0.35
SYK P43405 1/20 0.35
MAP3K14 Q99558 1/20 0.35
CACNA1G O43497 8/20 0.33
CACNA1H O95180 8/20 0.33
CACNA1I Q9P0X4 8/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ITK Q08881 4/20 0.32
AURKA O14965 3/20 0.32
LCK P06239 1/20 0.32
KCNH2 Q12809 1/20 0.30
CACNA1C Q13936 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL13262773 0.84 MAP3K14 (0.45) SYKMAP3K14CCNA2CDK2CCNA1
SCHEMBL13262831 0.82 SYK (0.35) GRM5SYKMAP3K14CACNA1GCACNA1H
SCHEMBL16496482 0.81 MAP3K14 (0.34) GRM5SYKMAP3K14CACNA1GCACNA1H
SCHEMBL2473191 0.78 CCNA2 (0.38) KDM4ESYKCACNA1GCACNA1HCACNA1I
SCHEMBL22518535 0.78 GRM5 (0.55) GRM5KDM4ECCNA2CDK2CCNA1
SCHEMBL2473512 0.76 MAP3K14 (0.33) MAP3K14
SCHEMBL2473514 0.76
SCHEMBL2473507 0.76 MAP3K14 (0.33) MAP3K14
SCHEMBL13262655 0.74 ALPL (0.38) GRM5KDM4ESYKALDH1A1
SCHEMBL3799033 0.72

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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 GRM5 240/4885KDM4E 3834/4885SYK 1326/4885

“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.