SCHEMBL2735334

SCHEMBL2735334

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2nc3ccc(OCC(=O)NCCN(C)C)cc3[nH]2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 6/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
HIF1A Q16665 1/20 0.38
PKM P14618 1/20 0.37
P2RY14 Q15391 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2735333 0.88 ALDH1A1 (0.42) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL216662 0.87 MAPT (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL215290 0.86 MAPT (0.39) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL2735332 0.86 KMT2A (0.45) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL214444 0.86 KMT2A (0.41) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL216400 0.84 LMNA (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL2735276 0.84 KMT2A (0.53) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL2735414 0.84 KMT2A (0.53) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL215480 0.83 MAPT (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL215041 0.83 KMT2A (0.43) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ALDH1A1 4295/4885MAPT 2138/4885KMT2A 437/4885

“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.