SCHEMBL3760026

SCHEMBL3760026

[C]#Cc1[nH]c2ccccc2c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.55
▸ DAO P14920 1/20 0.46
▸ DDO Q99489 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ GPR3 P46089 1/20 0.44
▸ KIF11 P52732 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL3680016 0.80 AHR (0.55) AHRDAODDOALDH1A1HSD17B10
SCHEMBL2929140 0.80 AHR (0.55) AHRDAODDOALDH1A1HSD17B10
SCHEMBL7195762 0.73 AHR (0.70) AHRDAODDOALDH1A1HSD17B10
SCHEMBL27647686 0.72 AHR (0.61) AHRDAODDOALDH1A1HSD17B10
SCHEMBL29420757 0.72 AHR (1.00) AHRDAODDOALDH1A1HSD17B10
SCHEMBL154593 0.72 AHR (1.00) AHRDAODDOALDH1A1HSD17B10
Cyanide SCHEMBL6526288 0.71 AHR (0.87) AHRDAODDOALDH1A1HSD17B10
SCHEMBL8084328 0.68 AHR (0.61) AHRDAODDOALDH1A1HSD17B10
SCHEMBL4980225 0.68 AHR (0.61) AHRDAODDOALDH1A1HSD17B10
SCHEMBL8089252 0.68 AHR (0.61) AHRDAODDOALDH1A1HSD17B10

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
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 — — EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 — — US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 — — US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 — — WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 — — EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 — — 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 (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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA AHR 2841/4885DAO 2458/4885DDO 1285/4885

“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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