SCHEMBL3486793

SCHEMBL3486793

CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)CCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
SOAT1 P35610 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
EPHX2 P34913 3/20 0.52
TERT O14746 3/20 0.50
PTPN1 P18031 3/20 0.50
MAPT P10636 2/20 0.50
BLM P54132 2/20 0.50
HSD17B10 Q99714 2/20 0.50
FABP4 P15090 2/20 0.50
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GMNN O75496 1/20 0.50

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
SCHEMBL20017970 0.93 KDM4E (0.55) SOAT1KMT2AMEN1TP53CYP3A4
SCHEMBL10698734 0.91 EPHX2 (0.57) FAAHCYP1A2CYP2C19SOAT1KMT2A
SCHEMBL20017920 0.91 EPHX2 (0.57) FAAHCYP1A2CYP2C19SOAT1KMT2A
SCHEMBL27516158 0.91 EPHX2 (0.57) FAAHCYP1A2CYP2C19SOAT1KMT2A
SCHEMBL4194719 0.90 CA12 (0.44) KMT2AMEN1MMP2
SCHEMBL4199901 0.90 CA12 (0.44) KMT2AMEN1MMP2
SCHEMBL4205873 0.90 CA12 (0.44) KMT2AMEN1MMP2
SCHEMBL12901321 0.89 EPHX2 (0.56) FAAHCYP1A2CYP2C19SOAT1KMT2A
SCHEMBL1274539 0.89 EPHX2 (0.56) FAAHCYP1A2CYP2C19SOAT1KMT2A
SCHEMBL31470204 0.89 FAAH (0.57) FAAHCYP1A2CYP2C19SOAT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019365-B1 NOVEL COMPOSITIONS FOR THE DELIVERY OF NEGATIVELY CHARGED MOLECULES SIRNA THERAPEUTICS INC (US) 2005-11-09 EP claimed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 US disclosed
EP-2519235-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2018-11-21 EP disclosed
EP-2361248-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2018-09-19 EP disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 US disclosed
US-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-21 US disclosed
US-20130065879-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
US-8338439-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2012-12-25 US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-20100036115-A1 Novel Compositions for the Delivery of Negatively Charged Molecules SIRNA THERAPEUTICS, INC. (US) 2010-02-11 US disclosed
US-20100036115-A1 Novel Compositions for the Delivery of Negatively Charged Molecules SIRNA THERAPEUTICS, INC. (US) 2010-02-11 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-7553830-B2 Compositions for the delivery of negatively charged molecules SIRNA THERAPEUTICS, INC. (US) 2009-06-30 US disclosed
US-7553830-B2 Compositions for the delivery of negatively charged molecules SIRNA THERAPEUTICS, INC. (US) 2009-06-30 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 (12 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 FAAH 1433/4885CYP1A2 20/4885CYP2C19 11/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 FAAH 1433/4885CYP1A2 20/4885CYP2C19 11/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK FAAH 3685/4885CYP1A2 3294/4885CYP2C19 2573/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 FAAH 1433/4885CYP1A2 20/4885CYP2C19 11/4885
US-20130065879-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 FAAH 1433/4885CYP1A2 20/4885CYP2C19 11/4885
US-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 FAAH 1433/4885CYP1A2 20/4885CYP2C19 11/4885
US-20100036115-A1 Novel Compositions for the Delivery of Negatively Charged Molecules PHAX, TARBP1, SNRPE FAAH 4610/4885CYP1A2 4883/4885CYP2C19 4884/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK FAAH 3685/4885CYP1A2 3294/4885CYP2C19 2573/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 FAAH 3905/4885CYP1A2 3296/4885CYP2C19 2202/4885
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 FAAH 1433/4885CYP1A2 20/4885CYP2C19 11/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 FAAH 1433/4885CYP1A2 20/4885CYP2C19 11/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK FAAH 3685/4885CYP1A2 3294/4885CYP2C19 2573/4885

“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.