SCHEMBL14670570

SCHEMBL14670570

O=C(NC1CCCC1)[C@@H](Nc1nc(Cl)ncc1Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
GPR88 Q9GZN0 3/20 0.42
POLB P06746 1/20 0.42
CNR1 P21554 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
EPHX1 P07099 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
CNR2 P34972 1/20 0.39
MAPK3 P27361 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
SCHEMBL15816839 0.80 CDK19 (0.56)
SCHEMBL14662740 0.80 CDK19 (0.56)
SCHEMBL15840799 0.78 PKM (0.40) MEN1KMT2AALDH1A1GPR88SMN1; SMN2
SCHEMBL15840843 0.77 ALDH1A1 (0.40) TSHRALDH1A1CNR1CYP3A4LMNA
SCHEMBL14670528 0.77 MTTP (0.38) KMT2AALDH1A1HTTCNR1HPGD
SCHEMBL15816037 0.77 KDR (0.49)
SCHEMBL14670571 0.77 KDR (0.49)
SCHEMBL15836877 0.76 MTTP (0.39) KMT2AALDH1A1HTTPOLBCNR1
SCHEMBL14670519 0.76 ELANE (0.46) TSHRMEN1KMT2AALDH1A1CYP3A4
SCHEMBL14670520 0.75 ACLY (0.43) MEN1KMT2AGPR88POLBSMN1; SMN2

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-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 TSHR 1670/4885MEN1 1752/4885KMT2A 1379/4885

“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.