SCHEMBL23405923

SCHEMBL23405923

O=C(Nc1ncc(-c2ccccn2)cn1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.57
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ S1PR3 Q99500 1/20 0.54
▸ TLR7 Q9NYK1 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TRPV1 Q8NER1 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CNR1 P21554 1/20 0.50

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
SCHEMBL29743831 1.00 ADORA3 (0.57) ADORA3NPC1RAB9AS1PR3TLR7
SCHEMBL29744073 0.90 F2 (0.58) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL20641503 0.90 F2 (0.58) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL29743834 0.87 ADORA1 (0.60) ADORA3MEN1KMT2APOLBKDM4E
SCHEMBL23405931 0.87 ADORA1 (0.60) ADORA3MEN1KMT2APOLBKDM4E
SCHEMBL23406072 0.86 DEGS1 (0.63) ADORA3NPC1RAB9AS1PR3MEN1
SCHEMBL23406009 0.86 GRM1 (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29744146 0.86 DEGS1 (0.63) ADORA3NPC1RAB9AS1PR3MEN1
SCHEMBL29744058 0.86 GRM1 (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL23406002 0.86 TRPV1 (0.52) RAB9AKMT2ATRPV1KDM4E

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 ADORA3 208/4885NPC1 350/4885RAB9A 1985/4885
US-11377436-B2 EAAT2 enhancing molecules SLC1A2, SLC1A1, SLC1A3 ADORA3 208/4885NPC1 350/4885RAB9A 1985/4885

“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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