SCHEMBL29744073

SCHEMBL29744073

O=C(Nc1ncc(-c2ccccn2)cn1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.58
▸ F12 P00748 1/20 0.58
▸ PLAU P00749 1/20 0.58
▸ ADORA1 P30542 2/20 0.54
▸ ADORA2A P29274 1/20 0.54
▸ PTPN2 P17706 1/20 0.52
▸ PTPN1 P18031 1/20 0.52
▸ ADORA3 P0DMS8 2/20 0.52
▸ KDM4A O75164 1/20 0.52
▸ KDM4B O94953 1/20 0.52
▸ KDM5B Q9UGL1 1/20 0.52
▸ TRPV1 Q8NER1 2/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL20641503 1.00 F2 (0.58) F2F12PLAUADORA1ADORA2A
SCHEMBL29743862 0.93 TRPV1 (0.52) F2F12PLAUADORA1ADORA2A
SCHEMBL23406002 0.93 TRPV1 (0.52) F2F12PLAUADORA1ADORA2A
SCHEMBL29744058 0.90 GRM1 (0.57) F2F12PLAUPTPN1TRPV1
SCHEMBL23406009 0.90 GRM1 (0.57) F2F12PLAUPTPN1TRPV1
SCHEMBL23405923 0.90 ADORA3 (0.57) ADORA3TRPV1NPC1RAB9AMEN1
SCHEMBL29743831 0.90 ADORA3 (0.57) ADORA3TRPV1NPC1RAB9AMEN1
SCHEMBL23406076 0.88 CYP2A6 (0.55) NPC1RAB9AMEN1KMT2A
SCHEMBL29743805 0.88 CYP2A6 (0.55) NPC1RAB9AMEN1KMT2A
SCHEMBL23406114 0.88 GRM5 (0.54) NPC1RAB9AKMT2A

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-11377436-B2 EAAT2 enhancing molecules THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-07-05 — — 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-11377436-B2 EAAT2 enhancing molecules SLC1A2, SLC1A1, SLC1A3 F2 4851/4885F12 4876/4885PLAU 3312/4885

“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.

Send feedback