Sugi Predict

Sugi Predict / Compounds / SCHEMBL9966477

SCHEMBL9966477

SCHEMBL9966477

O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 10/20 0.46
▸ AXL P30530 2/20 0.46
▸ HDAC1 Q13547 2/20 0.43
▸ RIPK1 Q13546 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ FLT3 P36888 2/20 0.41
▸ TNIK Q9UKE5 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ CDK7 P50613 2/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ CHEK2 O96017 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ FES P07332 2/20 0.39
▸ ROS1 P08922 2/20 0.39
▸ FER P16591 2/20 0.39
▸ FLT4 P35916 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ IRAK1 P51617 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39

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
SCHEMBL9966465 0.92 CDK8 (0.43) CDK8AXLHDAC1RIPK1FLT3
SCHEMBL9966480 0.83 HDAC1 (0.47) HDAC1ALDH1A1HTT
SCHEMBL9966527 0.81 PIK3CD (0.48) CDK8AXLHDAC1RIPK1ALDH1A1
SCHEMBL13854142 0.78 CDK8 (0.74) CDK8AXLRIPK1FLT3CDK7
SCHEMBL14295862 0.76 PIK3C3 (0.49) CDK8AXLHDAC1RIPK1TNIK
SCHEMBL17209602 0.76 IDO1 (0.45) CDK8AXLHDAC1RIPK1FLT3
SCHEMBL9966373 0.76 CD274 (0.42) CDK8HDAC1RIPK1FLT3TNIK
SCHEMBL9966364 0.75 GSK3B (0.49) CDK8HDAC1RIPK1FLT3TNIK
SCHEMBL9966272 0.75 HDAC1 (0.47) CDK8AXLHDAC1RIPK1TNIK
SCHEMBL9966577 0.75 POLB (0.42) HDAC1ALDH1A1HTTMAP4K4

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
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 — — EP disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 — — US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 — — US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 — — US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 — — US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 — — US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 — — US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 — — WO 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S CDK8 2218/4885AXL 4051/4885HDAC1 1448/4885

“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.