SCHEMBL4158704

SCHEMBL4158704

N=C(N)NC(=O)c1ccc(CCl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ PLK1 P53350 3/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ ST14 Q9Y5Y6 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PRSS1 P07477 2/20 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
SCHEMBL7266574 0.84 ALDH1A1 (0.48) CA2PLK1HDAC6KDM4EALDH1A1
SCHEMBL8507058 0.79 LMNA (0.59) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL6846675 0.79 ALDH1A1 (0.63) CA1CA2HDAC3HDAC6NCOR2
SCHEMBL6876458 0.77 ALDH1A1 (0.42) CA2HDAC6KDM4EALDH1A1LMNA
SCHEMBL6876467 0.77 LMNA (0.53) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL710211 0.77 PLK1 (0.68) CA1CA2PLK1HDAC6SMN1; SMN2
SCHEMBL8095376 0.76 ALDH1A1 (0.42) PLK1HDAC3HDAC6NCOR2ALDH1A1
SCHEMBL1626717 0.76 ALDH1A1 (0.57) HDAC6ALDH1A1LMNAMAPTSCN5A
SCHEMBL7798549 0.76 ALDH1A1 (0.41) CA2PLK1HDAC6KDM4EALDH1A1
SCHEMBL31215053 0.76 TPMT (0.45) CA1CA2ALDH1A1ST14PRSS1

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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 — — US disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 — — EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 — — 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 CA1 4884/4885CA2 4547/4885PLK1 30/4885

“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.

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