SCHEMBL5981807

SCHEMBL5981807

Cn1[c]nc2cc(C(N)=O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
BRD4 O60885 1/20 0.49
ALDH1A1 P00352 1/20 0.49
BRPF1 P55201 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 1/20 0.48
JAK2 O60674 15/20 0.45
JAK1 P23458 15/20 0.45
TYK2 P29597 15/20 0.45
JAK3 P52333 15/20 0.45
FGFR1 P11362 1/20 0.44
NAMPT P43490 1/20 0.43
HCAR3 P49019 1/20 0.40

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
SCHEMBL5982464 0.85 HCAR3 (0.55) HSD17B10HCAR3
SCHEMBL5983851 0.85 FGFR1 (0.46) ALDH1A1SMN1; SMN2HSD17B10FGFR1HCAR3
SCHEMBL5983097 0.81 HPGD (0.42) ALDH1A1SMN1; SMN2HCAR3
SCHEMBL5982863 0.81 THRB (0.46) SMN1; SMN2KMT2A
SCHEMBL8032996 0.75 HPGD (0.44) KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL29750942 0.73 KDM4E (0.50) KDM4EBRD4ALDH1A1BRPF1SMN1; SMN2
SCHEMBL1299105 0.72 FGFR1 (0.60) KDM4EBRD4ALDH1A1BRPF1SMN1; SMN2
SCHEMBL21409085 0.72 HCAR3 (0.73) KDM4EBRD4ALDH1A1BRPF1SMN1; SMN2
SCHEMBL29751005 0.72 HCAR3 (0.73) KDM4EBRD4ALDH1A1BRPF1SMN1; SMN2
SCHEMBL4220293 0.72 HCAR3 (0.47) KDM4EALDH1A1HSD17B10KMT2AFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1634888-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2006-03-15 EP disclosed
EP-1600451-A2 Synthesis of 2'-deoxy-l-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
US-20050090660-A1 2'-deoxy-L-nucleosides PHARMASSET, INC. 2005-04-28 US disclosed
EP-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5565469-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1996-10-15 US disclosed
CN-1113235-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them THOMAE GMBH DR K (DE) 1995-12-13 CN disclosed
EP-0682021-A1 Benzimidazoles, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1995-11-15 EP disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP 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 (1 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-20050090660-A1 2'-deoxy-L-nucleosides CCNH, ADAR, NSUN2 KDM4E 2504/4885BRD4 3760/4885ALDH1A1 4093/4885

“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.