SCHEMBL9901890

SCHEMBL9901890

NNC(=Nc1ccccc1Cl)c1ccncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
ALDH1A1 P00352 3/20 0.43
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
IDO1 P14902 1/20 0.41
GRM4 Q14833 5/20 0.39
TAAR1 Q96RJ0 1/20 0.39
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL9901888 1.00 P2RX7 (0.49) P2RX7ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL20302210 0.80 HTR3E (0.43) P2RX7ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL20302209 0.80 HTR3E (0.43) P2RX7ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL20303182 0.80 HTR3E (0.43) P2RX7ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL20302486 0.80 HTR3E (0.43) P2RX7ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL9926216 0.80 HTR3E (0.43) P2RX7ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL9901532 0.80 ALDH1A1 (0.47) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9901529 0.80 ALDH1A1 (0.47) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9901618 0.79 ALDH1A1 (0.44) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9901619 0.79 ALDH1A1 (0.44) ALDH1A1HTR3EHTR3BHTR3AHTR3D

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 8 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-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-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO University Hospital, HF (NO) 2014-01-30 US disclosed
CN-103429583-A Triazole derivatives as WNT signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF 2013-12-04 CN disclosed
EP-2649063-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS Oslo University Hospital HF (NO) 2013-10-16 EP 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 P2RX7 3463/4885ALDH1A1 1603/4885HTR3E 1972/4885
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 P2RX7 3281/4885ALDH1A1 1535/4885HTR3E 1827/4885

“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.