SCHEMBL12619404

SCHEMBL12619404

Cc1ccnc(C)c1C(=O)N[C@@H](C)CN1CC(C)(C)OCC1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ICOSLG O75144 13/20 0.53
ICOS Q9Y6W8 13/20 0.53
CHUK O15111 14/20 0.45
IKBKB O14920 2/20 0.41
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
TYK2 P29597 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL1800076 1.00 ICOSLG (0.53) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL1798662 0.94 ICOSLG (0.55) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619377 0.94 ICOSLG (0.55) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL13315672 0.91 ICOSLG (0.56) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL1799816 0.91 ICOSLG (0.56) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL1800039 0.90 ICOSLG (0.53) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL13315659 0.90 ICOSLG (0.53) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619372 0.89 ICOSLG (0.61) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619412 0.89 ICOSLG (0.53) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619405 0.88 ICOSLG (0.56) ICOSLGICOSCHUKIKBKBMEN1

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-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

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.