SCHEMBL18714259

SCHEMBL18714259

Nc1ccc(C#CSI)nc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ ADRA2A P08913 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ ADRA2C P18825 2/20 0.32

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
SCHEMBL20935616 0.77 KDM4E (0.33) ADRA2AADRA2BADRA2C
SCHEMBL21536559 0.77 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL21536602 0.77 GRM5 (0.46) —
SCHEMBL22270434 0.75 ADRA2A (0.41) DRD2DRD4DRD3CA12CA1
SCHEMBL23627445 0.74 NOS3 (0.30) —
SCHEMBL18467799 0.73 KDM4E (0.41) —
SCHEMBL1137069 0.71 ADRA2A (0.37) DRD2DRD4DRD3CA12CA1
SCHEMBL29350657 0.71 ADRA2A (0.37) DRD2DRD4DRD3CA12CA1
SCHEMBL26178491 0.69 — —
SCHEMBL22911966 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617222-B1 Alkynyl indazole derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2017-04-11 — — US disclosed
US-20170096400-A1 ALKYNYL INDAZOLE DERIVATIVE AND USE THEREOF SENJU PHARMACEUTICAL CO., LTD. (JP) 2017-04-06 — — 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-20170096400-A1 ALKYNYL INDAZOLE DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 DRD2 3250/4885DRD4 3350/4885DRD3 3208/4885

“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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