SCHEMBL3230107

SCHEMBL3230107

Cc1noc(C)c1-c1cc(N2CCOCC2)nc(Nc2cccc(C3(C#N)CCC3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMG1 Q96Q15 4/20 0.41
RAF1 P04049 6/20 0.40
BRAF P15056 5/20 0.40
AIMP2 Q13155 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CDK1 P06493 2/20 0.39
CDK2 P24941 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CTSL P07711 2/20 0.38

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
SCHEMBL13309665 0.87 MAPT (0.41) SMG1RAF1BRAFAIMP2TP53
SCHEMBL3227633 0.85 KMT2A (0.41) SMG1RAF1BRAFAIMP2TP53
SCHEMBL3268123 0.83 AIMP2 (0.37) SMG1RAF1BRAFAIMP2TP53
SCHEMBL3228592 0.78 CYP1A2 (0.43) RAF1BRAFTP53MAPTCDK1
SCHEMBL3235876 0.77 RAF1 (0.41) RAF1BRAFTP53MAPTALDH1A1
SCHEMBL3233971 0.76 AURKA (0.43) RAF1BRAFTP53MAPTALDH1A1
SCHEMBL3224093 0.75 PIK3CG (0.39) SMG1RAF1BRAFTP53MAPT
SCHEMBL3258829 0.73 AURKA (0.40) SMG1RAF1BRAFTP53MAPT
SCHEMBL3265040 0.68 CYP1A2 (0.46) ALDH1A1CYP1A2TSHRHSD17B10AURKA
SCHEMBL3229820 0.68 SLC2A1 (0.36) RAF1BRAFALDH1A1CYP1A2TSHR

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 3 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
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 SMG1 1645/4885RAF1 4118/4885BRAF 3142/4885

“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.