SCHEMBL13802202

SCHEMBL13802202

Brc1cc2nccc(N3CCCC3)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CHKA P35790 1/20 0.46
▸ NCF1 P14598 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CDK8 P49336 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ EHMT2 Q96KQ7 2/20 0.36
▸ EHMT1 Q9H9B1 2/20 0.36
▸ ADRB2 P07550 2/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL13804606 0.75 PKM (0.47) HSD17B10PKMALOX15CASP1CHKA
SCHEMBL13802206 0.74 PKM (0.40) HSD17B10PKMALOX15CASP1CHKA
SCHEMBL13802209 0.74 PKM (0.40) HSD17B10PKMALOX15CASP1CHKA
SCHEMBL13802211 0.73 PKM (0.39) HSD17B10PKMALOX15CASP1CHKA
SCHEMBL13802214 0.73 PKM (0.39) HSD17B10PKMALOX15CASP1CHKA
SCHEMBL5409114 0.70 PKM (0.68) HSD17B10PKMALOX15CASP1CHKA
SCHEMBL105732 0.69 FLT1 (0.33) ALDH1A1NPSR1
SCHEMBL21566290 0.69 SNCA (0.35) HTTMEN1KMT2ASMN1; SMN2
SCHEMBL29544605 0.69 SNCA (0.35) HTTMEN1KMT2ASMN1; SMN2
SCHEMBL29767078 0.69 FLT1 (0.33) ALDH1A1NPSR1

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-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-25 — — US disclosed
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-04 — — 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-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 HSD17B10 4357/4885PKM 523/4885ALOX15 3714/4885
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 HSD17B10 4357/4885PKM 523/4885ALOX15 3714/4885

“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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