SCHEMBL3913086

SCHEMBL3913086

CC(C)(C)c1ccc(Cn2cncc(Br)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
GPR183 P32249 1/20 0.44
RAB9A P51151 1/20 0.44
GPR35 Q9HC97 1/20 0.44
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL3913908 0.86 IDO1 (0.49) CYP11B1CYP11B2FNTAPGGT1BSMN1; SMN2
SCHEMBL3911396 0.84 TP53 (0.53) KMT2AMEN1HDAC6CYP11B1CYP11B2
SCHEMBL3111412 0.82 CYP11B1 (0.51) KMT2AMEN1CYP11B1CYP11B2CYP19A1
SCHEMBL3914923 0.81 CYP11B1 (0.54) KMT2AMEN1RAB9ACYP11B1CYP11B2
SCHEMBL3912721 0.80 CYP11B1 (0.54) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL29541214 0.79 BRD4 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3921773 0.77 SMN1; SMN2 (0.50) KMT2ACYP11B1CYP11B2HTTMAPK1
SCHEMBL3915564 0.77 LMNA (0.45) KMT2AMEN1CYP11B1CYP11B2CYP19A1
SCHEMBL8137118 0.75 CYP11B1 (0.62) ABCC8KCNJ11KMT2AMEN1NPC1
SCHEMBL3914606 0.74 GRM2 (0.44) RAB9ACYP11B1CYP11B2HTTMAPK1

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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
EP-2032538-A2 QUINOLINE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2009-03-11 EP disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 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 (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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 ABCC8 2920/4885KCNJ11 2639/4885KMT2A 3205/4885

“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.