SCHEMBL18225136

SCHEMBL18225136

CN=C(N)c1cccc2nc[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.37
▸ PDPK1 O15530 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ ACP1 P24666 1/20 0.31
▸ F10 P00742 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
SCHEMBL12653269 0.85 PARP1 (0.38) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL12618985 0.85 PARP1 (0.38) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL18248932 0.81 PARP1 (0.36) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL18248941 0.80 PARP1 (0.33) PARP1
SCHEMBL18248875 0.78 PARP1 (0.40) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL663849 0.78 PARP1 (0.56) PARP1PDPK1CA12ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL7358641 0.77 PARP1 (0.54) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL18225544 0.77 PARP1 (0.31) PARP1
SCHEMBL2646903 0.75 PARP1 (0.41) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL18248911 0.74 PBK (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 — — 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-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT PARP1 566/4885PDPK1 1433/4885CA12 4625/4885

“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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