SCHEMBL5982871

SCHEMBL5982871

Cn1[c]nc2c(C#N)cccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.39
▸ IMPDH2 P12268 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LCK P06239 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ BCL6 P41182 1/20 0.32
▸ ELANE P08246 2/20 0.32
▸ USP2 O75604 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ PSMB8 P28062 1/20 0.31
▸ HTT P42858 1/20 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
SCHEMBL5840948 0.73 GRM2 (0.44) GRM2
SCHEMBL2157946 0.73 GRM2 (0.35) GRM2KDM4EALDH1A1LCK
SCHEMBL6427934 0.70 IMPDH2 (0.43) GRM2IMPDH2KDM4EALDH1A1LCK
SCHEMBL18030917 0.66 IMPDH2 (0.46) GRM2IMPDH2KDM4EALDH1A1TSHR
SCHEMBL1161593 0.65 GRM2 (0.39) GRM2IMPDH2KDM4ELCKKCNH2
SCHEMBL15808426 0.63 IMPDH2 (0.43) IMPDH2ALDH1A1TSHRHTT
SCHEMBL16060932 0.63 HTT (0.39) GRM2IMPDH2KDM4EALDH1A1TSHR
SCHEMBL28126038 0.63 GRM2 (0.40) GRM2IMPDH2ALDH1A1LCKTSHR
SCHEMBL18894202 0.62 TSHR (0.33) KDM4EALDH1A1TSHRUSP2CLK1
Hydrochloric Acid SCHEMBL30534248 0.62 HTT (0.38) GRM2IMPDH2KDM4EALDH1A1TSHR

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 11 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-1600452-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2005-11-30 — — 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
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
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 GRM2 2976/4885IMPDH2 163/4885KDM4E 2504/4885

“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.

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