Sugi Predict

Sugi Predict / Compounds / SCHEMBL1796540

SCHEMBL1796540

SCHEMBL1796540

Cc1cncc2[nH]c3c(NC(=O)C4COC(C)(C)CN4C[C@H](C)NC(=O)OC(C)(C)C)cc(Cl)cc3c12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 2/20 0.42
▸ ICOS Q9Y6W8 2/20 0.42
▸ CHUK O15111 3/20 0.34
▸ BRD4 O60885 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL1796538 1.00 ICOSLG (0.42) ICOSLGICOSCHUKBRD4MAPK1
SCHEMBL1801927 0.89 ICOSLG (0.56) ICOSLGICOSCHUK
SCHEMBL3132133 0.82 ICOSLG (0.59) ICOSLGICOSCHUK
SCHEMBL12619471 0.80 ICOSLG (0.45) ICOSLGICOSCHUK
SCHEMBL12619472 0.79 ICOSLG (0.44) ICOSLGICOSCHUK
SCHEMBL12619396 0.79 ICOSLG (0.57) ICOSLGICOSCHUK
SCHEMBL1799816 0.78 ICOSLG (0.56) ICOSLGICOSCHUK
SCHEMBL1802650 0.78 ICOSLG (0.57) ICOSLGICOSCHUK
SCHEMBL12619371 0.78 ICOSLG (0.57) ICOSLGICOSCHUK
SCHEMBL12653122 0.78 ICOSLG (0.59) ICOSLGICOSCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
EP-2206713-A1 Beta-carbolines useful for treating inflammatory disease Millennium Pharmaceuticals, Inc. (US) 2010-07-14 — — EP disclosed
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
EP-1735311-B1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARM INC (US) 2010-03-31 — — EP disclosed
EP-1735311-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-12-27 — — EP disclosed
WO-2005111037-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-24 — — WO disclosed
US-20050239781-A1 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. 2005-10-27 — — US disclosed
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. 2004-11-25 — — 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-20050239781-A1 Beta-carbolines useful for treating inflammatory disease IL1B, IL1A, ADRA2B ICOSLG 3840/4885ICOS 3815/4885CHUK 439/4885
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease NFKBIA, IRAK2, IRAK1 ICOSLG 2264/4885ICOS 595/4885CHUK 6/4885
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE NFKBIA, NFKB2, IKBKG ICOSLG 2200/4885ICOS 589/4885CHUK 8/4885

“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.