SCHEMBL1797764

SCHEMBL1797764

Cc1ncccc1C(=O)Nc1cc(Cl)cc2c1[nH]c1cncc(NC(=O)C(F)(F)F)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 13/20 0.49
▸ ICOS Q9Y6W8 13/20 0.49
▸ CHUK O15111 12/20 0.49
▸ IKBKB O14920 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PIM3 Q86V86 1/20 0.47
▸ IKBKG Q9Y6K9 1/20 0.47
▸ TYK2 P29597 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ PI4KB Q9UBF8 1/20 0.46
▸ JAK2 O60674 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KLK7 P49862 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
SCHEMBL1800497 0.85 CHUK (0.52) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL1800325 0.84 CHUK (0.67) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL1798318 0.77 CHUK (0.44) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL1799670 0.73 CHUK (0.52) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL1803433 0.72 CHUK (0.43) ICOSLGICOSCHUKJAK2TP53
SCHEMBL1798417 0.72 CHUK (0.73) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL14253072 0.71 CHUK (0.74) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL14253056 0.69 CHUK (0.62) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL1800336 0.68 CHUK (0.73) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL13376947 0.68 ICOSLG (0.74) ICOSLGICOSCHUKIKBKBMEN1

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.

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