SCHEMBL3420464

SCHEMBL3420464

COC(=O)C1(c2ccc(Nc3nc(-c4ccc(F)cc4)cc(N(C)C4CC4)n3)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
LCK P06239 4/20 0.38
JAK3 P52333 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
IDO1 P14902 3/20 0.35
CYP2C9 P11712 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK4 P11802 1/20 0.35
CCND3 P30281 1/20 0.35
CDK9 P50750 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AVPR1A P37288 1/20 0.34
TTK P33981 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
AKT1 P31749 1/20 0.33
ACP1 P24666 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 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
SCHEMBL3423997 0.98 PTGS2 (0.39) PTGS2LCKJAK3SMN1; SMN2MAPT
SCHEMBL3237759 0.86 VCP (0.38) PTGS2SMN1; SMN2MAPTALDH1A1IDO1
SCHEMBL3223357 0.81 SMN1; SMN2 (0.38) PTGS2SMN1; SMN2MAPTALDH1A1IDO1
SCHEMBL3230131 0.80 VCP (0.47) VCP
SCHEMBL3228961 0.79 MAPT (0.47) PTGS2SMN1; SMN2MAPTAKT1ACP1
SCHEMBL3225982 0.79 VCP (0.47) ALDH1A1VCP
SCHEMBL3232625 0.79 AKT1 (0.40) PTGS2JAK3MAPTALDH1A1AKT1
SCHEMBL3261463 0.78 MAPT (0.44) LCKJAK3MAPTAKT1LMNA
SCHEMBL13341355 0.77 VCP (0.40) PTGS2ALDH1A1IDO1CYP2C9CCNT1
SCHEMBL3233759 0.75 AKT1 (0.38) MAPTALDH1A1IDO1AKT1MEN1

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 1 patent. 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

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 PTGS2 2185/4885LCK 210/4885JAK3 532/4885

“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.