SCHEMBL4716197

SCHEMBL4716197

N=C(NN)c1cccc(-c2nc3c(Cl)cccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.46
▸ GAA P10253 6/20 0.45
▸ MGAM O43451 5/20 0.45
▸ SI P14410 5/20 0.45
▸ MGAM2 Q2M2H8 5/20 0.45
▸ ADORA1 P30542 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL5628534 0.89 MGAM (0.46) PARP1GAAMGAMSIMGAM2
SCHEMBL4714942 0.81 PARP1 (0.52) PARP1GAAMGAMSIMGAM2
SCHEMBL14587792 0.79 PARP1 (0.50) PARP1GAAMGAMSIMGAM2
SCHEMBL14587799 0.79 PARP1 (0.50) PARP1GAAMGAMSIMGAM2
SCHEMBL27961298 0.74 ADORA1 (0.57) PARP1GAAMGAMSIMGAM2
SCHEMBL4715207 0.73 GAA (0.54) PARP1GAAMGAMSIMGAM2
SCHEMBL14587779 0.73 MGAM (0.50) PARP1GAAMGAMSIMGAM2
SCHEMBL4715338 0.72 IDO1 (0.54) PARP1GAAMGAMSIMGAM2
SCHEMBL4714350 0.72 KDM4E (0.55) PARP1GAAMGAMSIMGAM2
SCHEMBL1170768 0.72 ADORA1 (0.61) PARP1GAAMGAMSIMGAM2

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
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 — — EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 — — US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 — — 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 PARP1 2256/4885GAA 3511/4885MGAM 4641/4885

“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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