SCHEMBL3269675

SCHEMBL3269675

CCCC[N]C(=O)N(C)CCC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
CA1 P00915 2/20 0.35
EPHX2 P34913 5/20 0.33
CNR1 P21554 1/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
CA2 P00918 1/20 0.31
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
DNM1 Q05193 4/20 0.31

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
SCHEMBL969638 0.80 CA12 (0.39) ALDH1A1CA12CA9CA1CA2
SCHEMBL9506005 0.80 ALDH1A1 (0.33) ALDH1A1CA12CA9CA1
SCHEMBL7308189 0.78 CA12 (0.42) ALDH1A1CA12CA9CA1MMP1
SCHEMBL7305501 0.77 CA12 (0.48) ALDH1A1CA12CA9CA1MMP1
SCHEMBL968054 0.77 CA12 (0.45) ALDH1A1CA12CA9CA1EPHX2
SCHEMBL9507679 0.76 CA12 (0.35) ALDH1A1CA12CA9CA1EPHX2
SCHEMBL2687823 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9504607 0.75 ALDH1A1 (0.32) ALDH1A1CA12CA9CA1EPHX2
SCHEMBL7303961 0.74 ALDH1A1 (0.43) ALDH1A1CES2CES1
SCHEMBL9504644 0.73 CA12 (0.36) ALDH1A1CA12CA9CA1MMP1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278735-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2010-06-30 EP disclosed
US-20070225209-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS AND DISEASES MYRIAD GENETICS, INCORPORATED (US) 2007-09-27 US disclosed
EP-1272477-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-05-09 EP disclosed
EP-1268444-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2007-01-17 EP disclosed
US-7153964-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2006-12-26 US disclosed
US-7067522-B2 2,4,DI (hetero-) arylamino (-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2006-06-27 US disclosed
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB 2005-04-28 US disclosed
US-6838464-B2 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineaoplastic agents ASTRAZENECA AB (SE) 2005-01-04 US disclosed
US-20040226056-A1 Compositions and methods for treating neurological disorders and diseases MYRIAD GENETICS, INCORPORATED (US) 2004-11-11 US disclosed
EP-1140860-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-09-22 EP disclosed
EP-1286972-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2003-03-05 EP disclosed
EP-1278735-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-29 EP disclosed
EP-1272477-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2003-01-08 EP disclosed
EP-1268444-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-02 EP disclosed
EP-1140860-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2001064656-A1 2,4,DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 WO disclosed
WO-2001064654-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2001-09-07 WO disclosed
WO-2001064653-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2001-09-07 WO disclosed
WO-2001064655-A1 2, 4-DI(HETERO-)ARYLAMINO (-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 WO disclosed
WO-2000039101-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-07-06 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 (2 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-20070225209-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS AND DISEASES CLN6, PMP22, PSEN2 ALDH1A1 1672/4885CA12 712/4885CA9 1655/4885
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents CDK2, CDK4, CCNI ALDH1A1 1393/4885CA12 4661/4885CA9 3425/4885

“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.