SCHEMBL5045967

SCHEMBL5045967

C#Cc1nc(C)n(C2CC2)c1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
CDK9 P50750 2/20 0.33
CCNT1 O60563 1/20 0.33
CNR2 P34972 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL23441842 0.65 CDK9 (0.46) CDK9CCNT1CNR2JAK2JAK1
SCHEMBL24463604 0.65 KDM4E (0.55) CDK9CCNT1GAAALDH1A1LMNA
SCHEMBL24463365 0.63 CCNT1 (0.65) TYK2JAK3CDK9CCNT1JAK2
SCHEMBL9350636 0.58 GRM1 (0.39) JAK2JAK1GAAALOX15ALDH1A1
SCHEMBL3519853 0.58 HCAR1 (0.42) JAK3CDK9CCNT1JAK2JAK1
SCHEMBL9673866 0.57 CCR5 (0.60) CDK9CCNT1GAAALOX15ALDH1A1
SCHEMBL21663150 0.56 ALDH1A1 (0.39) CDK9CCNT1CLK1DYRK1ADYRK2
SCHEMBL23061550 0.55 CYP1A2 (0.38) ALDH1A1LMNA
SCHEMBL17678354 0.55 CYP11B2 (0.58) CDK9CCNT1CLK1DYRK1ADYRK2
SCHEMBL23204987 0.54 WDR5 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100562520-C Imidazole derivatives iii HOFFMANN LA ROCHE (CH) 2009-11-25 CN disclosed
EP-1644351-B1 Imidazole derivatives and their use in the treatment of mGluR5 receptor mediated disorders HOFFMANN LA ROCHE (CH) 2008-03-05 EP disclosed
CN-1823054-A Imidazole derivatives iii HOFFMANN LA ROCHE (CH) 2006-08-23 CN disclosed
US-7091222-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-15 US disclosed
EP-1644351-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
WO-2005003117-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed
US-20050009878-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-01-13 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 (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-20050009878-A1 Imidazole derivatives GRIK5, GRM5, GRIK4 TYK2 2383/4885JAK3 1811/4885CDK9 1354/4885

“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.