SCHEMBL3229820

SCHEMBL3229820

Cc1noc(C)c1-c1cc(N2CCC(F)(F)CC2)nc(Nc2ccc(C3(C(=O)O)CCC3)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.36
SYK P43405 3/20 0.35
SRC P12931 1/20 0.35
BRD4 O60885 1/20 0.35
CYP1A2 P05177 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RAF1 P04049 2/20 0.33
AURKA O14965 2/20 0.33
NPY2R P49146 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
RIPK1 Q13546 1/20 0.33
AURKB Q96GD4 1/20 0.33
PTGER4 P35408 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL3232904 0.93 SLC2A1 (0.36) SLC2A1SYKSRCBRD4CYP1A2
SCHEMBL3235876 0.91 RAF1 (0.41) CYP1A2ALDH1A1TSHRMAPK1RAF1
SCHEMBL3265040 0.90 CYP1A2 (0.46) SLC2A1SRCBRD4CYP1A2ALDH1A1
SCHEMBL3227296 0.89 CDK4 (0.39) SLC2A1SYKSRCBRD4CYP1A2
SCHEMBL3233971 0.84 AURKA (0.43) SLC2A1CYP1A2ALDH1A1CYP2C9TSHR
SCHEMBL3227633 0.82 KMT2A (0.41) BRD4CYP1A2ALDH1A1TSHRRAF1
SCHEMBL3236223 0.82 CDK4 (0.38) SLC2A1SYKSRCCYP1A2ALDH1A1
SCHEMBL3232862 0.80 CYP1A2 (0.38) SRCBRD4CYP1A2ALDH1A1CYP2C9
SCHEMBL3229599 0.79 CYP1A2 (0.41) SYKSRCBRD4CYP1A2ALDH1A1
SCHEMBL13456930 0.77 SLC2A1 (0.35) SLC2A1SYKAURKARIPK1AURKB

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
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO 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

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 SLC2A1 4009/4885SYK 571/4885SRC 949/4885

“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.