SCHEMBL2735359

SCHEMBL2735359

CCN1CCC(Oc2ccc(NC(=O)c3nc[nH]c3C(=O)Nc3nc4ccccc4[nH]3)c(C)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
HRH3 Q9Y5N1 4/20 0.41
MEN1 O00255 8/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 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
SCHEMBL2735360 0.92 CHEK2 (0.43) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL14223127 0.92 KMT2A (0.45) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL216196 0.91 ALDH1A1 (0.44) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2759945 0.91 KMT2A (0.44) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2759990 0.91 KMT2A (0.44) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL14222300 0.90 KMT2A (0.44) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL214816 0.90 KMT2A (0.44) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2735431 0.89 KMT2A (0.46) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL214144 0.89 KMT2A (0.46) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2735352 0.89 MAPT (0.44) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E

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 4 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-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
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 KMT2A 437/4885ALDH1A1 4295/4885SMN1; SMN2 2516/4885

“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.