SCHEMBL3787154

SCHEMBL3787154

O=C(O)NCc1ccc(-c2nc3ccnc(Cl)c3cc2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.46
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
RXFP1 Q9HBX9 2/20 0.42
CNR1 P21554 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.40
TACR3 P29371 1/20 0.39

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
SCHEMBL14788664 0.92 GPR84 (0.46) DHODHTP53LMNARXFP1CNR1
SCHEMBL3788617 0.87 TP53 (0.42) DHODHTP53LMNARXFP1CNR1
SCHEMBL2281584 0.87 NAMPT (0.49) DHODHTP53LMNASMN1; SMN2
SCHEMBL3788803 0.87 KMT2A (0.44) TP53LMNARXFP1CNR1THRB
SCHEMBL3790086 0.85 TP53 (0.44) DHODHTP53LMNARXFP1THRB
SCHEMBL12803747 0.85 KMT2A (0.47) TP53LMNARXFP1CNR1THRB
SCHEMBL27755776 0.85 TP53 (0.42) TP53LMNARXFP1CNR1THRB
SCHEMBL3786276 0.84 EGLN1 (0.42) TP53LMNARXFP1CNR1THRB
SCHEMBL3809865 0.82 MMP13 (0.42) TP53LMNAMAPT
SCHEMBL1351560 0.82 CSNK2A1 (0.43) DHODHCNR1

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-20120252806-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2012-10-04 US disclosed
EP-2391623-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-12-07 EP disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 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-20120252806-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG DHODH 2427/4885TP53 398/4885LMNA 3966/4885

“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.