SCHEMBL12745729

SCHEMBL12745729

CNNC(=N)c1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.44
▸ NAPRT Q6XQN6 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.44
▸ BAZ2B Q9UIF8 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MC4R P32245 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ MC3R P41968 1/20 0.42
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 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
SCHEMBL640866 0.78 KDM4E (0.48) KDM4ENAPRTHCAR2BAZ2BADORA3
SCHEMBL29806269 0.78 KDM4E (0.48) KDM4ENAPRTHCAR2BAZ2BADORA3
SCHEMBL4904135 0.78 BAZ2B (0.52) KDM4ENAPRTHCAR2BAZ2BADORA3
SCHEMBL29516859 0.77 KDM4E (0.65) KDM4ENAPRTHCAR2ADORA3TSHR
Oxalic Acid SCHEMBL1460169 0.74 KDM4E (0.46) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL1459766 0.73 ALDH1A1 (0.47) KDM4ENAPRTNPC1RAB9ASMN1; SMN2
SCHEMBL14903392 0.73 — —
SCHEMBL1461124 0.72 KDM4E (0.47) KDM4ENAPRTHCAR2BAZ2BADORA3
SCHEMBL1442775 0.69 — —
SCHEMBL2310303 0.68 KDM4E (0.59) KDM4ENAPRTHCAR2ADORA3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E KDM4E 2583/4885NAPRT 2642/4885HCAR2 96/4885

“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.

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