SCHEMBL2735311

SCHEMBL2735311

CN(Cc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
OPRK1 P41145 1/20 0.42
CYP1A2 P05177 2/20 0.41
GAA P10253 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ACKR3 P25106 1/20 0.40
ITK Q08881 1/20 0.39
PKM P14618 1/20 0.39
KLF5 Q13887 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
SCHEMBL2735320 0.87 MEN1 (0.48) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL2735272 0.83 ALDH1A1 (0.54) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL2735279 0.81 ALDH1A1 (0.52) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL2735312 0.80 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL2735317 0.79 GAA (0.48) KDM4ENPC1RAB9ASMN1; SMN2TDP1
SCHEMBL2735291 0.78 NPC1 (0.64) NPC1RAB9ASMN1; SMN2TDP1POLB
SCHEMBL2735268 0.78 GAA (0.65) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2735305 0.78 GSK3A (0.57) NPC1RAB9ASMN1; SMN2TDP1POLB
SCHEMBL2735281 0.77 NPC1 (0.48) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL10266855 0.77 KDM4E (0.47) KDM4ESMN1; SMN2TDP1POLBALDH1A1

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 5 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
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 KDM4E 952/4885NPC1 3307/4885RAB9A 2213/4885

“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.