SCHEMBL215113

SCHEMBL215113

NC(=O)c1[nH]cnc1C(=O)N(c1nc2ccccc2s1)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 2/20 0.43
GPR55 Q9Y2T6 1/20 0.43
LMNA P02545 6/20 0.39
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CASP3 P42574 3/20 0.38
SENP8 Q96LD8 3/20 0.38
SENP7 Q9BQF6 3/20 0.38
SENP6 Q9GZR1 3/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 4/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 3/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL213207 0.83 LMNA (0.48) KDM4ENPSR1HPGDGPR55LMNA
SCHEMBL214647 0.81 POLB (0.38) KDM4EHPGDGPR55LMNARAB9A
SCHEMBL214451 0.73 POLB (0.37) KDM4ENPSR1HPGDLMNARAB9A
SCHEMBL214977 0.73 POLB (0.38) KDM4EHPGDGPR55LMNARAB9A
SCHEMBL215204 0.72 KMT2A (0.37) KDM4ENPSR1HPGDLMNARAB9A
SCHEMBL213713 0.69 NPC1 (0.38) KDM4ENPSR1HPGDLMNARAB9A
SCHEMBL214043 0.69 POLB (0.47) KDM4ELMNARAB9ANPC1SMN1; SMN2
SCHEMBL214715 0.69 POLB (0.40) KDM4ENPSR1HPGDGPR55LMNA
SCHEMBL215645 0.68 POLB (0.37) KDM4EHPGDGPR55LMNARAB9A
SCHEMBL215085 0.67 GRM2 (0.35) KDM4ENPSR1HPGDLMNARAB9A

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 6 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 claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP 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 952/4885NPSR1 4218/4885HPGD 3138/4885

“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.