SCHEMBL2878987

SCHEMBL2878987

N#CCc1ccnc(NCc2ccncc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.43
KCNH3 Q9ULD8 2/20 0.41
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
ADRA2C P18825 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
MKNK2 Q9HBH9 2/20 0.35
GPR39 O43194 1/20 0.35
HDAC4 P56524 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2885608 0.83 HPGD (0.48) HDAC1HDAC6HDAC3HDAC2KDM4E
Pyridine SCHEMBL3572978 0.79 F2 (0.39) HDAC1HDAC6HDAC8CYP2C9CYP2C19
SCHEMBL2883879 0.78 MAOA (0.49) HDAC1HDAC6HDAC3HDAC2KDM4E
SCHEMBL2884302 0.77 MAPK9 (0.44) MKNK1KDM4EALDH1A1HPGDMKNK2
Pyridine SCHEMBL3569017 0.76 KCNH3 (0.44) KCNH3KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL27512383 0.76 KDM4E (0.42) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL2883441 0.75 OGA (0.53) MKNK1KCNH3ADRA2CKDM4EALDH1A1
SCHEMBL2881380 0.75 NUDT1 (0.43) MKNK1KCNH3KDM4EMKNK2MAPT
SCHEMBL2790083 0.74 OGA (0.52) MKNK1ADRA2CKDM4ECYP1A2CYP2D6
SCHEMBL2883333 0.74 MKNK1 (0.45) MKNK1KCNH3KDM4EALDH1A1CYP1A2

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 5 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
EP-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP 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-7776854-B2 Benzazole derivatives for the treatment of scleroderma MERCK SERONO SA (CH) 2010-08-17 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 125/4885KCNH3 1948/4885HDAC1 288/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 MKNK1 55/4885KCNH3 2595/4885HDAC1 958/4885
US-20050119277-A1 Benzazole derivatives for the treatment of scleroderma SMAD3, SQOR, TNNI3 MKNK1 1571/4885KCNH3 1142/4885HDAC1 210/4885

“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.