SCHEMBL2883333

SCHEMBL2883333

COCCNc1nccc(CC#N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
KCNH3 Q9ULD8 4/20 0.41
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 2/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
CLK4 Q9HAZ1 2/20 0.38
GLA P06280 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
FLT4 P35916 1/20 0.38

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
SCHEMBL2884302 0.81 MAPK9 (0.44) MKNK1MKNK2ALDH1A1KDM4EGLA
SCHEMBL16815659 0.81 MKNK1 (0.48) MKNK1MKNK2KCNH3ALDH1A1CYP1A2
SCHEMBL27657479 0.79 CCNT1 (0.50) ALDH1A1CYP1A2CYP2C19HSD17B10KDM4E
SCHEMBL2881380 0.78 NUDT1 (0.43) MKNK1MKNK2KCNH3KDM4EHTT
SCHEMBL10026853 0.78 MKNK1 (0.46) MKNK1MKNK2KCNH3ALDH1A1CYP1A2
SCHEMBL27513802 0.77 AURKA (0.45) ALDH1A1CYP1A2CYP2C19ALOX15HSD17B10
SCHEMBL2883441 0.76 OGA (0.53) MKNK1MKNK2KCNH3ALDH1A1KDM4E
SCHEMBL27657475 0.76 CHRM2 (0.47) MKNK1MKNK2CLK4RAB9ATP53
SCHEMBL91582 0.75 MKNK1 (0.51) MKNK1MKNK2KCNH3ALDH1A1CYP1A2
SCHEMBL11308784 0.74 MKNK1 (0.53) MKNK1MKNK2KCNH3ALDH1A1CYP1A2

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
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-02-14 US claimed
US-20070259892-A1 METHOD OF INHIBITING THE EXPRESSION AND/OR THE ACTIVITY OF JNK APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-11-08 US claimed
EP-1240164-B1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS (AN) 2003-11-12 EP claimed
US-7776854-B2 Benzazole derivatives for the treatment of scleroderma MERCK SERONO SA (CH) 2010-08-17 US disclosed
US-7470686-B2 Method of inhibiting the expression and/or the activity of JNK LABORATOIRES SERONO SA (CH) 2008-12-30 US disclosed
US-20070259892-A1 METHOD OF INHIBITING THE EXPRESSION AND/OR THE ACTIVITY OF JNK APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-11-08 US disclosed
US-20050119277-A1 Benzazole derivatives for the treatment of scleroderma APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-06-02 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-20070259892-A1 METHOD OF INHIBITING THE EXPRESSION AND/OR THE ACTIVITY OF JNK MAP3K20, MAPK3, MAPK10 MKNK1 125/4885MKNK2 59/4885KCNH3 1948/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 MKNK1 55/4885MKNK2 67/4885KCNH3 2595/4885
US-20050119277-A1 Benzazole derivatives for the treatment of scleroderma SMAD3, SQOR, TNNI3 MKNK1 1571/4885MKNK2 1212/4885KCNH3 1142/4885

“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.