SCHEMBL1796535

SCHEMBL1796535

Cc1ncccc1C(=O)Nc1c(SCCN(C)C)c(Cl)cc2c1[nH]c1cnccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 15/20 0.67
▸ ICOSLG O75144 9/20 0.67
▸ ICOS Q9Y6W8 9/20 0.67
▸ IKBKB O14920 3/20 0.67
▸ TYK2 P29597 1/20 0.67
▸ CLK1 P49759 1/20 0.67
▸ CLK2 P49760 1/20 0.67
▸ DYRK1A Q13627 1/20 0.67
▸ CLK4 Q9HAZ1 1/20 0.67
▸ PI4KB Q9UBF8 1/20 0.67
▸ MEN1 O00255 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
▸ ROCK2 O75116 2/20 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
Hydrochloric Acid SCHEMBL1797662 0.99 CHUK (0.66) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1798775 0.90 CHUK (0.71) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1801454 0.87 CHUK (0.75) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1797398 0.85 CHUK (0.77) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL17225471 0.84 CHUK (0.81) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL12619277 0.84 CHUK (0.75) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1802564 0.82 CHUK (0.77) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1798941 0.81 CHUK (0.84) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30039188 0.81 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1420073 0.81 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2

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 18 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
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
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
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-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 — — US 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
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 — — 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 CHUK 439/4885ICOSLG 3840/4885ICOS 3815/4885
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease NFKBIA, IRAK2, IRAK1 CHUK 6/4885ICOSLG 2264/4885ICOS 595/4885
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE NFKBIA, NFKB2, IKBKG CHUK 8/4885ICOSLG 2200/4885ICOS 589/4885

“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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