SCHEMBL3236223

SCHEMBL3236223

COC(=O)C1(c2ccc(Nc3nc(-c4c(C)noc4C)cc(N4CCN(C(C)=O)CC4)n3)cc2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.38
CDK2 P24941 4/20 0.38
AURKA O14965 4/20 0.38
CDK7 P50613 4/20 0.38
CDK9 P50750 4/20 0.38
AURKB Q96GD4 4/20 0.38
CDK1 P06493 2/20 0.37
SRC P12931 1/20 0.37
CCND1 P24385 3/20 0.36
ALK Q9UM73 5/20 0.36
WEE1 P30291 2/20 0.36
BPTF Q12830 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
SYK P43405 4/20 0.36
SLC2A1 P11166 1/20 0.35
CCNE1 P24864 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 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
SCHEMBL3227296 0.93 CDK4 (0.39) CDK4CDK2AURKACDK7CDK9
SCHEMBL3233971 0.90 AURKA (0.43) AURKAAURKBSLC2A1ALDH1A1CYP1A2
SCHEMBL3232904 0.90 SLC2A1 (0.36) AURKAAURKBSRCSYKSLC2A1
SCHEMBL3235876 0.83 RAF1 (0.41) AURKAAURKBALDH1A1CYP1A2TSHR
SCHEMBL3229820 0.82 SLC2A1 (0.36) AURKAAURKBSRCSYKSLC2A1
SCHEMBL3265040 0.82 CYP1A2 (0.46) CDK4AURKAAURKBSRCCCND1
SCHEMBL3234476 0.81 CYP1A2 (0.40) AURKAAURKBSRCSYKALDH1A1
SCHEMBL3415491 0.80 CYP1A2 (0.36) SRCALDH1A1CYP1A2TSHRMAPK1
SCHEMBL3228757 0.79 CYP1A2 (0.42) SRCSLC2A1ALDH1A1CYP1A2TSHR
SCHEMBL3233920 0.76 CYP2C19 (0.42) AURKAAURKBALDH1A1CYP1A2CYP2C9

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
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 CDK4 692/4885CDK2 1173/4885AURKA 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.