SCHEMBL14670520

SCHEMBL14670520

CN(C)C(=O)[C@@H](Nc1nc(Cl)ncc1Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.43
TACR3 P29371 2/20 0.40
CNR2 P34972 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
PIN1 Q13526 2/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
JAK2 O60674 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
S1PR2 O95136 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
SCHEMBL14670519 0.84 ELANE (0.46) TACR3KMT2AMEN1LMNANPSR1
SCHEMBL14670667 0.83 TNF (0.35) STK17BSTK17A
SCHEMBL15840799 0.81 PKM (0.40) TACR3SMN1; SMN2KMT2AOPRM1OPRD1
SCHEMBL15815412 0.78 CDK19 (0.61) STK17AJAK2
SCHEMBL14661991 0.78 CDK19 (0.61) STK17AJAK2
SCHEMBL15840843 0.77 ALDH1A1 (0.40) CNR2STK17BSTK17ALMNA
SCHEMBL14670528 0.77 MTTP (0.38) CNR2KMT2ANPSR1KLRK1MICA
SCHEMBL15836877 0.76 MTTP (0.39) CNR2KMT2APOLBNPSR1
SCHEMBL15840842 0.76 HPGD (0.44) TACR3GPR88STK17BSTK17ANPSR1
SCHEMBL18488387 0.76 GALR3 (0.47) SMN1; SMN2KMT2ALDHALDHBMEN1

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-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 US disclosed
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 US disclosed
WO-2013014162-A1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-01-31 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-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors JAK1, JAK3, JAK2 ACLY 4162/4885TACR3 2515/4885CNR2 509/4885

“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.