SCHEMBL2654828

SCHEMBL2654828

O=CNc1cccc(-n2ccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.58
CYP3A4 P08684 2/20 0.50
ABL1 P00519 2/20 0.50
PDGFRB P09619 1/20 0.50
BCR P11274 1/20 0.50
SRC P12931 1/20 0.50
PDGFRA P16234 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
CYP19A1 P11511 2/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CYP2A6 P11509 1/20 0.46
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.42
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8391282 0.82 LMNA (0.55) IDO1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL27636324 0.80 ALDH1A1 (0.47) MAPK1
SCHEMBL21646511 0.80 IDO1 (0.58) IDO1CYP3A4ABL1PDGFRBBCR
SCHEMBL21362368 0.78 CYP3A4 (0.62) IDO1CYP3A4ABL1PDGFRBBCR
SCHEMBL14489499 0.78 IDO1 (0.75) IDO1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL19920014 0.77 IDO1 (0.59) IDO1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL8592858 0.77 ABL1 (0.67) IDO1CYP3A4ABL1PDGFRBBCR
SCHEMBL12017933 0.77 CYP3A4 (0.60) IDO1CYP3A4ABL1PDGFRBBCR
SCHEMBL7476753 0.77 IDO1 (0.51) IDO1CYP3A4ABL1PDGFRBBCR
SCHEMBL2643843 0.77 IDO1 (0.55) IDO1CYP3A4ABL1PDGFRBBCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1759112-A Benzimidazole derivatives and their use for modulating the GABA- SB A /SB receptor complex NEUROSEARCH AS (DK) 2006-04-12 CN disclosed
US-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex NEUROSEARCH A/S (DK) 2006-03-30 US disclosed
EP-1613618-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA- sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
WO-2004087690-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 WO disclosed
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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 (2 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-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex GABRB2, GABRB1, GABRB3 IDO1 1002/4885CYP3A4 463/4885ABL1 1717/4885
US-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 IDO1 1301/4885CYP3A4 182/4885ABL1 212/4885

“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.