SCHEMBL10108322

SCHEMBL10108322

O=Nc1nc[nH]c1/C=C/c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
IP6K1 Q92551 3/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 2/20 0.36
LMNA P02545 1/20 0.36
DPYD Q12882 1/20 0.35
GRM4 Q14833 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
PDPK1 O15530 1/20 0.34
CYP11B1 P15538 1/20 0.34

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
SCHEMBL10102686 0.71 TAAR1 (0.60) TAAR1IP6K1IP6K3IP6K2KDM4E
(Z)-1,2-Diphenylethene SCHEMBL10948488 0.65 TAAR1 (0.53) TAAR1IP6K1IP6K3IP6K2KDM4E
(Z)-1,2-Diphenylethene SCHEMBL10948499 0.65 TAAR1 (0.53) TAAR1IP6K1IP6K3IP6K2KDM4E
SCHEMBL13264504 0.64 ALDH1A1 (0.50) MEN1KMT2AALDH1A1CYP1A2LMNA
SCHEMBL28198316 0.64 ALDH1A1 (0.50) MEN1KMT2AALDH1A1CYP1A2LMNA
(Z)-1,2-Diphenylethene SCHEMBL443 0.63 MAOB (0.73) MEN1KMT2AALDH1A1LMNACYP11B1
(Z)-1,2-Diphenylethene SCHEMBL9134296 0.63 MAOB (0.73) MEN1KMT2AALDH1A1LMNACYP11B1
(Z)-1,2-Diphenylethene SCHEMBL9134305 0.63 MAOB (0.73) MEN1KMT2AALDH1A1LMNACYP11B1
(Z)-1,2-Diphenylethene SCHEMBL22712863 0.63 MAOB (0.73) MEN1KMT2AALDH1A1LMNACYP11B1
(Z)-1,2-Diphenylethene SCHEMBL21847984 0.63 MAOB (0.73) MEN1KMT2AALDH1A1LMNACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K TAAR1 174/4885IP6K1 1320/4885IP6K3 822/4885

“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.