SCHEMBL3911396

SCHEMBL3911396

Cc1ccc(Cn2cncc(Br)c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
CYP11B1 P15538 8/20 0.47
CYP11B2 P19099 8/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
IDO1 P14902 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP19A1 P11511 2/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL3111412 0.86 CYP11B1 (0.51) TP53MAPTCYP11B1CYP11B2HTT
SCHEMBL3914923 0.84 CYP11B1 (0.54) MAPTCYP11B1CYP11B2HTTSMN1; SMN2
SCHEMBL3912721 0.84 CYP11B1 (0.54) CYP11B1CYP11B2SMN1; SMN2IDO1LMNA
SCHEMBL3915564 0.84 LMNA (0.45) MAPTCYP11B1CYP11B2HTTIDO1
SCHEMBL3913086 0.84 ABCC8 (0.49) CYP11B1CYP11B2HTTSMN1; SMN2MEN1
SCHEMBL2400441 0.84 CYP11B2 (0.56) TP53MAPTCYP11B1CYP11B2IDO1
SCHEMBL3921773 0.81 SMN1; SMN2 (0.50) CYP11B1CYP11B2HTTSMN1; SMN2KMT2A
SCHEMBL3913908 0.81 IDO1 (0.49) CYP11B1CYP11B2SMN1; SMN2ALDH1A1IDO1
SCHEMBL3916349 0.80 PDPK1 (0.40)
SCHEMBL29541214 0.79 BRD4 (0.46) TP53MAPTCYP11B1CYP11B2ALDH1A1

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 TP53 31/4885MAPT 883/4885CYP11B1 81/4885

“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.