SCHEMBL1802229

SCHEMBL1802229

C[C@@H](N)CN1CCOC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 10/20 0.54
▸ ICOS Q9Y6W8 10/20 0.54
▸ CHUK O15111 16/20 0.53
▸ MEN1 O00255 1/20 0.47
▸ IKBKB O14920 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

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
SCHEMBL1799170 1.00 ICOSLG (0.54) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1795262 1.00 ICOSLG (0.54) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13315641 1.00 ICOSLG (0.54) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13315639 1.00 ICOSLG (0.54) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13315643 0.88 CHUK (0.50) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1797524 0.88 CHUK (0.50) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619321 0.88 ICOSLG (0.54) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1800321 0.88 ICOSLG (0.54) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847505 0.87 ICOSLG (0.55) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847820 0.87 ICOSLG (0.53) 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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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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