SCHEMBL13848656

SCHEMBL13848656

Cc1ccc(C(=O)O)cc1N1C=C(c2ccc(CN3CCOCC3)nc2)NN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
KCNH2 Q12809 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
AOC3 Q16853 1/20 0.39
MAPK14 Q16539 3/20 0.38
ABL1 P00519 4/20 0.38
CHUK O15111 2/20 0.38
MAPK8 P45983 2/20 0.38
CAMKK2 Q96RR4 2/20 0.38
RAF1 P04049 1/20 0.38
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
MAPK9 P45984 1/20 0.38
BCR P11274 3/20 0.38
INSR P06213 1/20 0.37
EZH2 Q15910 5/20 0.37
SMO Q99835 1/20 0.37

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
SCHEMBL4034242 0.81 HSP90AA1 (0.45) HRH3KCNH2USP2TSHRHIF1A
SCHEMBL13848733 0.80 TP53 (0.39) MAPK14
SCHEMBL4033413 0.79 ABL1 (0.54) HRH3ABL1BCR
SCHEMBL13843810 0.78 NAPRT (0.43)
SCHEMBL13895052 0.74 TP53 (0.32) ABL1BCR
SCHEMBL13848653 0.73 KMO (0.48) ABL1BCR
SCHEMBL2305325 0.73 HRH3 (0.62) HRH3HIF1AEPAS1
SCHEMBL17075537 0.72 HRH3 (0.61) HRH3HIF1AEPAS1
SCHEMBL30911745 0.69 HRH3 (0.66) HRH3HIF1AEPAS1
SCHEMBL13848887 0.68 MKNK1 (0.44) ABL1BCRCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
EP-1887003-A1 3-[4-HETEROCYCLYL -1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 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-20070142371-A1 Anti-Cytokine Heterocyclic Compounds TNF, IL6, IL1A HRH3 340/4885KCNH2 4068/4885USP2 4449/4885

“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.