SCHEMBL13360778

SCHEMBL13360778

N#Cc1c(-c2ccccc2)cc(Cl)nc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 7/20 0.50
▸ ADORA2A P29274 6/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ SQOR Q9Y6N5 4/20 0.48
▸ HPGD P15428 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ NPSR1 Q6W5P4 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ PIM1 P11309 1/20 0.43

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
SCHEMBL1623647 0.83 L3MBTL1 (0.54) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL13360776 0.83 ADORA1 (0.66) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL19665208 0.82 ADORA1 (0.54) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL29444600 0.82 ADORA1 (0.54) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL5218636 0.73 L3MBTL1 (0.71) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL22785937 0.73 ADORA1 (0.51) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL1162737 0.73 SQOR (0.47) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL31350444 0.71 ALDH1A1 (0.68) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL31518981 0.70 ADORA1 (0.56) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL12679759 0.69 ADORA1 (0.55) ADORA1ADORA2AL3MBTL1MAPK1SQOR

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-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MERCK SHARP & DOHME CORP 2010-05-06 — — 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-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER EPHA4, EPHA1, ERBB4 ADORA1 377/4885ADORA2A 583/4885L3MBTL1 3013/4885

“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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