SCHEMBL1798347

SCHEMBL1798347

COC(=O)C1CCN(C(=O)CN2CC(C)(C)OCC2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 10/20 0.56
▸ ICOS Q9Y6W8 10/20 0.56
▸ CHUK O15111 13/20 0.48
▸ MEN1 O00255 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ IKBKG Q9Y6K9 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CREBBP Q92793 1/20 0.33

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
SCHEMBL12619445 1.00 ICOSLG (0.56) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12653119 0.94 ICOSLG (0.58) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619727 0.94 ICOSLG (0.58) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619689 0.93 ICOSLG (0.57) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619613 0.92 ICOSLG (0.58) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619438 0.92 ICOSLG (0.59) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1811915 0.92 ICOSLG (0.59) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL3154538 0.91 ICOSLG (0.55) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619592 0.91 ICOSLG (0.55) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619721 0.91 ICOSLG (0.55) ICOSLGICOSCHUKMEN1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735311-B1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARM INC (US) 2010-03-31 — — EP claimed
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
EP-1611134-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-04 — — 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
WO-2004092167-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-10-28 — — 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 (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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