SCHEMBL3265040

SCHEMBL3265040

Cc1noc(C)c1-c1cc(N2CCNCC2)nc(Nc2ccc(C3(C(=O)O)CCC3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
ALDH1A1 P00352 2/20 0.46
AURKA O14965 5/20 0.41
RIPK1 Q13546 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC2A1 P11166 2/20 0.36
BRD4 O60885 4/20 0.36
AURKB Q96GD4 2/20 0.35
SRC P12931 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL3235876 0.91 RAF1 (0.41) CYP1A2ALDH1A1AURKARIPK1HSD17B10
SCHEMBL3229820 0.90 SLC2A1 (0.36) CYP1A2ALDH1A1AURKARIPK1CYP3A4
SCHEMBL3227296 0.89 CDK4 (0.39) CYP1A2ALDH1A1AURKASLC2A1BRD4
SCHEMBL3233971 0.84 AURKA (0.43) CYP1A2ALDH1A1AURKARIPK1HSD17B10
SCHEMBL3232904 0.83 SLC2A1 (0.36) CYP1A2ALDH1A1AURKARIPK1SLC2A1
SCHEMBL3227633 0.82 KMT2A (0.41) CYP1A2ALDH1A1HSD17B10HIF1ABRD4
SCHEMBL3236223 0.82 CDK4 (0.38) CYP1A2ALDH1A1AURKASLC2A1AURKB
SCHEMBL3232862 0.80 CYP1A2 (0.38) CYP1A2ALDH1A1HSD17B10CYP3A4HIF1A
SCHEMBL3229599 0.79 CYP1A2 (0.41) CYP1A2ALDH1A1AURKAHSD17B10CYP3A4
SCHEMBL3229370 0.77 CYP1A2 (0.44) CYP1A2ALDH1A1HSD17B10CYP3A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US claimed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 CYP1A2 558/4885ALDH1A1 2134/4885AURKA 975/4885

“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.