SCHEMBL12619405

SCHEMBL12619405

C[C@@H](CN1CC(C)(C)OCC1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12)NC(=O)c1cnccn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ICOSLG O75144 11/20 0.56
ICOS Q9Y6W8 11/20 0.56
CHUK O15111 13/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
IKBKB O14920 1/20 0.43
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
IKBKG Q9Y6K9 1/20 0.43
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1800823 1.00 ICOSLG (0.56) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12653013 0.92 ICOSLG (0.46) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12619372 0.91 ICOSLG (0.61) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL1800245 0.91 ICOSLG (0.56) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12619392 0.91 ICOSLG (0.56) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12619377 0.90 ICOSLG (0.55) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL1798662 0.90 ICOSLG (0.55) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL1799816 0.89 ICOSLG (0.56) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL13315672 0.89 ICOSLG (0.56) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL13315669 0.89 ICOSLG (0.59) ICOSLGICOSCHUKMEN1KMT2A

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 3 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-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

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.