SCHEMBL14269751

SCHEMBL14269751

Cc1ccc2nc(-c3ccc(O)c(C(N)=O)c3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 6/20 0.49
DYRK1A Q13627 6/20 0.49
CHUK O15111 1/20 0.47
ENPP2 Q13822 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MCL1 Q07820 1/20 0.42
NCK1 P16333 1/20 0.42
BACE1 P56817 1/20 0.42
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CSNK2A1 P68400 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL29746186 0.81 CHEK2 (0.49) ESR1ESR2GAAMAPTNCK1
SCHEMBL26613603 0.81 CHEK2 (0.49) ESR1ESR2GAAMAPTNCK1
SCHEMBL8913574 0.76 BCAT2 (0.45) ESR1NCK1BACE1CYP1A2MEN1
SCHEMBL10147842 0.75 CYP1A2 (0.59) ESR1ESR2MAPTNCK1BACE1
SCHEMBL552239 0.74 CSNK2A1 (0.67) CHUKMAPTMCL1MEN1KMT2A
SCHEMBL8330122 0.73 RARB (0.53) ESR1ESR2GAAMAPTRARB
SCHEMBL29746368 0.72 CDK4 (0.49) ESR1ESR2NCK1BACE1CYP1A2
SCHEMBL26613529 0.72 CDK4 (0.49) ESR1ESR2NCK1BACE1CYP1A2
SCHEMBL29746507 0.72 CDK4 (0.49) ESR1ESR2NCK1BACE1CYP1A2
SCHEMBL13298971 0.72 CYP1A2 (0.52) ESR1ESR2GAANCK1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 CLK1 4178/4885DYRK1A 4838/4885CHUK 1141/4885

“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.