SCHEMBL2583738

SCHEMBL2583738

CCOC(=O)[C@@H]1CC=C(c2nccs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
LIMK1 P53667 1/20 0.38
PDK1 Q15118 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 2/20 0.36
RORC P51449 1/20 0.36
CYP2C19 P33261 1/20 0.35
NPC1 O15118 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
SCHEMBL2583734 1.00 CDK9 (0.44) CDK9CCNT1ALOX15TSHRMAPK1
SCHEMBL17318345 0.81 ALDH1A1 (0.37) CDK9CCNT1ALDH1A1PKMMAPT
SCHEMBL2547779 0.81 CDK9 (0.48) CDK9CCNT1ALOX15TSHRMAPK1
SCHEMBL2547781 0.81 CDK9 (0.48) CDK9CCNT1ALOX15TSHRMAPK1
SCHEMBL2579581 0.81 PDK1 (0.40) CDK9CCNT1ALOX15TSHRMAPK1
SCHEMBL2579579 0.81 PDK1 (0.40) CDK9CCNT1ALOX15TSHRMAPK1
SCHEMBL14709506 0.79 CDK9 (0.39) CDK9CCNT1ALOX15TSHRMAPK1
SCHEMBL22777063 0.78 CDK9 (0.42) CDK9CCNT1ALOX15TSHRMAPK1
SCHEMBL2543423 0.78 CDK9 (0.46) CDK9CCNT1ALOX15TSHRMAPK1
SCHEMBL2543418 0.78 CDK9 (0.46) CDK9CCNT1ALOX15TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
EP-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 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-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR CDK9 3248/4885CCNT1 1584/4885ALOX15 1369/4885

“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.