SCHEMBL23406002

SCHEMBL23406002

O=C(Nc1ncc(-c2ccccn2)cn1)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.52
▸ F2 P00734 2/20 0.51
▸ F12 P00748 2/20 0.51
▸ PLAU P00749 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ TYK2 P29597 1/20 0.50
▸ KCNK3 O14649 1/20 0.49
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL29743862 1.00 TRPV1 (0.52) TRPV1F2F12PLAUKDM4E
SCHEMBL29744073 0.93 F2 (0.58) TRPV1F2F12PLAURAB9A
SCHEMBL20641503 0.93 F2 (0.58) TRPV1F2F12PLAURAB9A
SCHEMBL29743805 0.87 CYP2A6 (0.55) KDM4EHTTRAB9AKMT2AKCNK3
SCHEMBL23406076 0.87 CYP2A6 (0.55) KDM4EHTTRAB9AKMT2AKCNK3
SCHEMBL23406009 0.86 GRM1 (0.57) TRPV1F2F12PLAUHTT
SCHEMBL23405923 0.86 ADORA3 (0.57) TRPV1KDM4ERAB9AKMT2A
SCHEMBL29743831 0.86 ADORA3 (0.57) TRPV1KDM4ERAB9AKMT2A
SCHEMBL29744058 0.86 GRM1 (0.57) TRPV1F2F12PLAUHTT
SCHEMBL23405893 0.84 RAB9A (0.67) TRPV1KDM4ERAB9AKMT2A

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 4 patents. 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
US-11377436-B2 EAAT2 enhancing molecules THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-07-05 — — US disclosed
US-20210163440-A1 EAAT2 ENHANCING MOLECULES BRIGHAM & WOMENS HOSPITAL INC (US) 2021-06-03 — — US disclosed
US-20210163440-A1 EAAT2 ENHANCING MOLECULES BRIGHAM & WOMENS HOSPITAL INC (US) 2021-06-03 — — 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-20210163440-A1 EAAT2 ENHANCING MOLECULES SLC1A2, SLC1A1, SLC1A3 TRPV1 435/4885F2 4851/4885F12 4876/4885
US-11377436-B2 EAAT2 enhancing molecules SLC1A2, SLC1A1, SLC1A3 TRPV1 435/4885F2 4851/4885F12 4876/4885

“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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