SCHEMBL14670528

SCHEMBL14670528

O=C([C@@H](Nc1nc(Cl)ncc1Cl)c1ccccc1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 2/20 0.38
PIK3CD O00329 1/20 0.38
ALDH1A1 P00352 4/20 0.37
EPHX2 P34913 1/20 0.36
F10 P00742 2/20 0.36
F2 P00734 1/20 0.36
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KLRK1 P26718 1/20 0.35
MICA Q29983 1/20 0.35
RAET1L Q5VY80 1/20 0.35
PTK2 Q05397 1/20 0.34
ADRB2 P07550 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
SCHEMBL15836877 0.99 MTTP (0.39) MTTPPIK3CDALDH1A1EPHX2F10
SCHEMBL15816870 0.80 CDK19 (0.59)
SCHEMBL14662553 0.80 CDK19 (0.59)
SCHEMBL14662387 0.80 CDK19 (0.58)
SCHEMBL15816274 0.80 CDK19 (0.58)
SCHEMBL14670519 0.78 ELANE (0.46) ALDH1A1KMT2AKDM4ENPSR1
SCHEMBL14670570 0.77 TSHR (0.43) ALDH1A1KMT2AHPGDCNR1CNR2
SCHEMBL14670520 0.77 ACLY (0.43) KMT2ANPSR1CNR2KLRK1MICA
SCHEMBL15815907 0.77 JAK2 (0.50)
SCHEMBL15815908 0.77 JAK2 (0.50)

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 MTTP 4770/4885PIK3CD 1053/4885ALDH1A1 3464/4885

“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.