SCHEMBL2885608

SCHEMBL2885608

N#CCc1ccnc(NCc2cccnc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
TSHR P16473 2/20 0.48
OGA O60502 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
MAPK10 P53779 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
CLK4 Q9HAZ1 6/20 0.47
CYP1A2 P05177 5/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 3/20 0.47
ALOX15 P16050 2/20 0.47
LTA4H P09960 1/20 0.47
CDK2 P24941 4/20 0.46
CLK1 P49759 4/20 0.46
DYRK1A Q13627 3/20 0.46
CLK2 P49760 2/20 0.46

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
SCHEMBL2790083 0.88 OGA (0.52) OGAMAPK10KDM4ECYP1A2CYP3A4
SCHEMBL2878987 0.83 MKNK1 (0.43) HPGDLMNAALDH1A1KDM4ECYP1A2
SCHEMBL2883441 0.77 OGA (0.53) HPGDOGALMNAHTTSMN1; SMN2
SCHEMBL2883879 0.76 MAOA (0.49) HPGDTSHRLMNAHTTSMN1; SMN2
SCHEMBL2120263 0.76 LTA4H (0.65) ALDH1A1CLK4CYP1A2CYP3A4CYP2C19
Pyridine SCHEMBL3569017 0.74 KCNH3 (0.44) HPGDTSHRLMNAHTTSMN1; SMN2
Pyridine SCHEMBL3572978 0.74 F2 (0.39) LMNASMN1; SMN2CLK4CYP3A4CYP2C19
SCHEMBL2884302 0.73 MAPK9 (0.44) HPGDMAPK10ALDH1A1KDM4ECDK2
SCHEMBL11988197 0.72 KDM4E (0.55) TSHROGAALDH1A1KDM4ECLK4
SCHEMBL9681154 0.72 HPGD (0.51) HPGDTSHRLMNAHTTMAPK10

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-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
US-8658640-B2 JNK inhibitors for the treatment of endometriosis MERCK SERONO SA (CH) 2014-02-25 US disclosed
US-20130267512-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2013-10-10 US disclosed
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 (4 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 HPGD 2766/4885TSHR 2539/4885OGA 2071/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 HPGD 3719/4885TSHR 4615/4885OGA 3903/4885
US-20130267512-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN HPGD 1135/4885TSHR 3432/4885OGA 1441/4885
US-20050119277-A1 Benzazole derivatives for the treatment of scleroderma SMAD3, SQOR, TNNI3 HPGD 1085/4885TSHR 763/4885OGA 4845/4885

“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.