SCHEMBL1800072

SCHEMBL1800072

CC1(C)CN(CC(=O)O)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ICOSLG O75144 11/20 0.65
ICOS Q9Y6W8 11/20 0.65
CHUK O15111 15/20 0.56
MEN1 O00255 1/20 0.48
IKBKB O14920 1/20 0.48
PIM1 P11309 1/20 0.48
KMT2A Q03164 1/20 0.48
PIM3 Q86V86 1/20 0.48
IKBKG Q9Y6K9 1/20 0.48

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
SCHEMBL1800079 1.00 ICOSLG (0.65) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619699 0.93 ICOSLG (0.64) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13269261 0.93 ICOSLG (0.64) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13269132 0.92 ICOSLG (0.63) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619476 0.92 ICOSLG (0.63) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13315655 0.91 ICOSLG (0.65) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847829 0.90 ICOSLG (0.61) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619814 0.90 ICOSLG (0.61) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1801702 0.90 ICOSLG (0.61) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619440 0.90 ICOSLG (0.61) 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 13 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
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
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.