SCHEMBL1798016

SCHEMBL1798016

CN(C)CCOc1c(Cl)cc2c([nH]c3cnccc32)c1N

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 15/20 0.57
▸ MAOA P21397 2/20 0.43
▸ ICOSLG O75144 2/20 0.42
▸ ICOS Q9Y6W8 2/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ BRAF P15056 1/20 0.38

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
SCHEMBL1797102 0.85 CHUK (0.78) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1797233 0.83 CHUK (0.53) CHUKMAOAICOSLGICOSIKBKB
SCHEMBL30342051 0.81 CHUK (0.76) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1796756 0.81 CHUK (0.76) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1799179 0.79 CHUK (0.80) CHUKMAOAICOSLGICOSIKBKB
SCHEMBL1797278 0.79 CHUK (0.49) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL14253066 0.78 CHUK (0.73) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1800230 0.77 CHUK (0.59) CHUKMAOAICOSLGICOSIKBKB
SCHEMBL13270191 0.75 CHRNB2 (0.38) CHUKDYRK1ACHRNB2CHRNA4
SCHEMBL1797398 0.75 CHUK (0.77) CHUKMAOAICOSLGICOSIKBKB

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 11 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
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 439/4885MAOA 558/4885ICOSLG 3840/4885
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease NFKBIA, IRAK2, IRAK1 CHUK 6/4885MAOA 4093/4885ICOSLG 2264/4885
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE NFKBIA, NFKB2, IKBKG CHUK 8/4885MAOA 4051/4885ICOSLG 2200/4885

“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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