SCHEMBL9926216

SCHEMBL9926216

Cl/C(=N\c1ccccc1Cl)c1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
GRM4 Q14833 5/20 0.39
P2RX7 Q99572 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
CYP19A1 P11511 1/20 0.33
IDO1 P14902 1/20 0.33
TBXA2R P21731 4/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL20303182 1.00 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20302486 0.84 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20302209 0.84 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20302210 0.84 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9901888 0.80 P2RX7 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20333652 0.80 GRM4 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21595529 0.80 GRM4 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9901890 0.80 P2RX7 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11920132 0.77 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9926089 0.77 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018118868-A1 TRIAZOLE DERIVATIVES AS TANKYRASE INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2018-06-28 WO disclosed
US-9403812-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2016-08-02 US disclosed
US-9403812-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2016-08-02 US disclosed
US-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2015-11-12 US disclosed
US-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2015-11-12 US disclosed
US-9096587-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2015-08-04 US disclosed
US-9096587-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2015-08-04 US disclosed
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO University Hospital, HF (NO) 2014-01-30 US disclosed
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO University Hospital, HF (NO) 2014-01-30 US disclosed
WO-2012076898-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2012-06-14 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 (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-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 HTR3E 1972/4885HTR3B 1936/4885HTR3A 1708/4885
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 HTR3E 1827/4885HTR3B 1840/4885HTR3A 1716/4885

“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.