SCHEMBL16351333

SCHEMBL16351333

N#C/N=C(/N)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.49
▸ MAOA P21397 7/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ PRKCI P41743 1/20 0.45
▸ IMPDH2 P12268 1/20 0.44
▸ IMPDH1 P20839 1/20 0.44
▸ EPHX1 P07099 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
SCHEMBL29979146 0.89 ESR1 (0.52) MAOA
SCHEMBL14159973 0.78 IKBKB (0.33) —
SCHEMBL721964 0.75 MAOB (0.65) MAOBMAOANPC1RAB9AMAPT
SCHEMBL9540720 0.75 F2 (0.57) MAOBMAOANPC1RAB9AMAPT
SCHEMBL1576877 0.75 NPC1 (0.63) MAOBMAOANPC1RAB9AMAPT
SCHEMBL30026512 0.75 NPC1 (0.63) MAOBMAOANPC1RAB9AMAPT
SCHEMBL9568686 0.72 MAOB (0.50) MAOBMAOANPC1RAB9AMAPT
SCHEMBL22803696 0.72 NPC1 (0.67) MAOBMAOANPC1RAB9AMAPT
SCHEMBL24706318 0.71 CYP3A4 (0.55) MAOBMAOANPC1RAB9AMAPT
SCHEMBL22803844 0.70 ESR1 (0.61) MAOBMAOANPC1RAB9AMAPT

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
US-9133203-B2 Pyrroloquinazoline compounds OREGON HEALTH & SCIENCE UNIVERSITY (US) 2015-09-15 — — US disclosed
US-9133203-B2 Pyrroloquinazoline compounds OREGON HEALTH & SCIENCE UNIVERSITY (US) 2015-09-15 — — US disclosed
US-20140378486-A1 PYRROLOQUINAZOLINE COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2014-12-25 — — US disclosed
US-20140378486-A1 PYRROLOQUINAZOLINE COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2014-12-25 — — US disclosed
WO-2014205272-A1 PYRROLOQUINAZOLINE COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2014-12-24 — — 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-20140378486-A1 PYRROLOQUINAZOLINE COMPOUNDS COQ8A, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAOB 658/4885MAOA 556/4885NPC1 322/4885

“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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