SCHEMBL3271994

SCHEMBL3271994

CCN(CC)CCO[C]=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
CYP2D6 P10635 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CHRNA7 P36544 1/20 0.34
TSHR P16473 1/20 0.34
MAOA P21397 1/20 0.34
HTR3A P46098 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33

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
SCHEMBL8359063 0.87 MEN1 (0.44) KMT2AMEN1POLBCYP2D6LMNA
SCHEMBL4184981 0.86 KDM4E (0.37) KMT2AMEN1POLBHTR3AHRH3
SCHEMBL5536881 0.84 ALDH1A1 (0.40) KMT2AMEN1CYP2D6MAOAALDH1A1
SCHEMBL5538653 0.82 ALDH1A1 (0.42) KMT2AMEN1CYP2D6ALDH1A1CYP3A4
SCHEMBL5540330 0.82 ALDH1A1 (0.42) KMT2AMEN1CYP2D6ALDH1A1CYP3A4
SCHEMBL5535421 0.82 ALDH1A1 (0.42) KMT2AMEN1CYP2D6ALDH1A1CYP3A4
SCHEMBL5547136 0.82 ALDH1A1 (0.42) KMT2AMEN1CYP2D6ALDH1A1CYP3A4
SCHEMBL5548088 0.82 ALDH1A1 (0.42) KMT2AMEN1CYP2D6ALDH1A1CYP3A4
SCHEMBL5546030 0.82 ALDH1A1 (0.42) KMT2AMEN1CYP2D6ALDH1A1CYP3A4
SCHEMBL5545245 0.82 ALDH1A1 (0.42) KMT2AMEN1CYP2D6ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165474-A1 POLYFARNESENES Amyris, Inc. (US) 2012-06-28 US claimed
EP-1278735-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2010-06-30 EP claimed
US-7067522-B2 2,4,DI (hetero-) arylamino (-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2006-06-27 US claimed
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB 2005-04-28 US claimed
US-6838464-B2 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineaoplastic agents ASTRAZENECA AB (SE) 2005-01-04 US claimed
US-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-09-25 US claimed
EP-1278735-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001064656-A1 2,4,DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 WO claimed
EP-0173933-B1 1,6-NAPHTHYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENT CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1989-11-29 EP claimed
US-4525478-A Certain 4-aryl-1,4-dihydro-3,5-pyridinedicarboxylates having vasodilating and anti-hypertensive properties FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-25 US claimed
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US claimed
US-4338322-A 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 US claimed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US claimed
US-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 US claimed
EP-2817342-B1 POLYMERIZATION OF COMPOSITIONS COMPRISING A FARNESENE AMYRIS INC (US) 2016-05-25 EP disclosed
US-20150025193-A1 POLYMERIZATION OF COMPOSITIONS COMPRISING A FARNESENE Amyris, Inc. (US) 2015-01-22 US disclosed
EP-2817342-A1 POLYMERIZATION OF COMPOSITIONS COMPRISING A FARNESENE Amyris, Inc. (US) 2014-12-31 EP disclosed
US-4303673-A N-Propionylsarcosineanilides, process for their preparation, and pharmaceutical compositions containing them A. NATTERMANN & CIE. GMBH (DE) 1981-12-01 US disclosed
US-4297358-A AS ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1981-10-27 US disclosed
US-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 US 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-20030181474-A1 2,4-Di(hetero-)arylamino(-oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 KMT2A 909/4885MEN1 3683/4885POLB 254/4885
US-20050090515-A1 2,4,DI (hetero-) arylamino (-oxy) -5-substituted pyrimidines as antineoplastic agents CDK2, CDK4, CCNI KMT2A 862/4885MEN1 4075/4885POLB 299/4885

“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.