SCHEMBL6165412

SCHEMBL6165412

Cc1nc(C)c(-c2nc(-c3ccccc3)ncc2N)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ HPGD P15428 3/20 0.49
▸ PPARG P37231 1/20 0.49
▸ NCOA2 Q15596 1/20 0.49
▸ NCOA3 Q9Y6Q9 1/20 0.49
▸ HTT P42858 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ COMT P21964 2/20 0.44
▸ ALOX5 P09917 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CDK4 P11802 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ PTGS1 P23219 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 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
Dimethylamine SCHEMBL4802181 0.96 ALDH1A1 (0.49) ALDH1A1HPGDPPARGNCOA2NCOA3
SCHEMBL6160916 0.89 ALDH1A1 (0.49) ALDH1A1HPGDPPARGNCOA2NCOA3
SCHEMBL6160255 0.84 ALDH1A1 (0.48) ALDH1A1HPGDPPARGNCOA2NCOA3
SCHEMBL6161303 0.84 ALDH1A1 (0.46) ALDH1A1HPGDPPARGNCOA2NCOA3
Dimethylamine SCHEMBL4799577 0.82 CDK4 (0.43) ALDH1A1HPGDPPARGNCOA2NCOA3
SCHEMBL6163005 0.81 ALDH1A1 (0.46) ALDH1A1HPGDPPARGNCOA2NCOA3
SCHEMBL31515074 0.77 KMT2A (0.49) ALDH1A1HPGDHTTKDM4ELMNA
SCHEMBL3297943 0.77 KMT2A (0.49) ALDH1A1HPGDHTTKDM4ELMNA
SCHEMBL31515073 0.77 KMT2A (0.49) ALDH1A1HPGDHTTKDM4ELMNA
SCHEMBL6409483 0.75 L3MBTL1 (0.50) ALDH1A1HTTKDM4ELMNAHPGDS

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 — — US claimed
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 — — EP claimed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 — — WO claimed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 — — US claimed
US-6531479-B2 Anticancer agents, skin disorders CYCLACEL LIMITED (GB) 2003-03-11 — — US claimed
EP-1274705-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2003-01-15 — — EP claimed
US-20020019404-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2002-02-14 — — US claimed
WO-2001072745-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2001-10-04 — — WO claimed
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 — — US disclosed
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 — — EP disclosed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 — — WO disclosed
US-6699854-B2 2-SUBSTITUTED 4-HETEROARYL- PYRIMIDINES, INHIBITORS OF CYCLIN-DEPENDENT KINASES (CDKS) CYCLACEL LIMITED (GB) 2004-03-02 — — US disclosed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 — — US disclosed
US-6531479-B2 Anticancer agents, skin disorders CYCLACEL LIMITED (GB) 2003-03-11 — — US disclosed
EP-1274705-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2003-01-15 — — EP disclosed
US-20020019404-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2002-02-14 — — US disclosed
WO-2001072745-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2001-10-04 — — 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 (3 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-20020019404-A1 Anti-cancer compounds CDK3, CDK2, CDK4 ALDH1A1 3103/4885HPGD 1810/4885PPARG 374/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 ALDH1A1 3103/4885HPGD 1810/4885PPARG 374/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 ALDH1A1 2550/4885HPGD 3573/4885PPARG 1583/4885

“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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