SCHEMBL5115191

SCHEMBL5115191

Cn1c(C(=O)O)cc2cccc(Oc3ccnc(N)n3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
MCL1 Q07820 2/20 0.40
MET P08581 6/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GFER P55789 1/20 0.37
CDC7 O00311 1/20 0.36
KDR P35968 2/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
CCR2 P41597 1/20 0.35
PTK2 Q05397 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
SCHEMBL5117902 0.87 MCL1 (0.39) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5123585 0.86 MCL1 (0.40) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5126231 0.85 KDM4E (0.43) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5110230 0.84 KDR (0.41) MCL1METKDM4EALDH1A1HPGD
SCHEMBL5124409 0.84 MCL1 (0.38) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5681413 0.83 KDR (0.42) MCL1METKDM4EALDH1A1HPGD
SCHEMBL5114263 0.83 MCL1 (0.41) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5110255 0.82 ALDH1A1 (0.39) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5113895 0.82 MCL1 (0.36) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5111119 0.82 MCL1 (0.36) MCL1KDM4EALDH1A1HPGDHSD17B10

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-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US claimed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP claimed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO claimed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 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-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 ALOX5AP 852/4885FEN1 2384/4885MCL1 1081/4885

“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.