SCHEMBL4760137

SCHEMBL4760137

CCCCCCCn1nc(N)c(C#N)n1.COCCn1nc(N)c(C#N)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDR P35968 5/20 0.32
GAA P10253 3/20 0.30
GLA P06280 2/20 0.30
HSD17B10 Q99714 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SAE1 Q9UBE0 1/20 0.30
UBA2 Q9UBT2 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
SMPD1 P17405 1/20 0.30

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
SCHEMBL4759555 0.90 KDR (0.37) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL4758012 0.84 TOP2A (0.36) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL4760139 0.79
SCHEMBL4760168 0.67 KDM4E (0.34) KDM4EALDH1A1HTTHSD17B10MAPT
SCHEMBL693498 0.66 ALDH1A1 (0.37) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL1075720 0.66 ALDH1A1 (0.37) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL16968398 0.63 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL17076679 0.62 GLA (0.36) KDM4EALDH1A1HPGDGAAGLA
Hexadecane SCHEMBL5074970 0.61 TSHR (0.57) ALDH1A1HSD17B10LMNAMEN1TSHR
Decane SCHEMBL5077906 0.61 TSHR (0.57) ALDH1A1HSD17B10LMNAMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470698-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-12-30 US disclosed
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2007-10-25 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
US-20060040959-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-02-23 US disclosed
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US disclosed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 US disclosed
US-6448253-B1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-09-10 US disclosed
US-6407236-B1 TUMOR DIAGNOSIS; ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; ANTIDEPRESSANTS MEDCO RESEARCH, INC. 2002-06-18 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 (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-20060040959-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 KDM4E 4280/4885ALDH1A1 549/4885HPGD 2411/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 KDM4E 4280/4885ALDH1A1 549/4885HPGD 2411/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 KDM4E 4491/4885ALDH1A1 620/4885HPGD 2446/4885

“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.