SCHEMBL4189636

SCHEMBL4189636

Cc1cc(-c2nc3cnccc3c(=O)n2NCc2ccc(Cl)cc2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.44
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.41
NPSR1 Q6W5P4 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4397979 0.89 BRD4 (0.44) BRD4ALDH1A1MEN1POLBKMT2A
SCHEMBL4194094 0.85 MEN1 (0.46) BRD4ALDH1A1MEN1POLBKMT2A
SCHEMBL4197705 0.83 IDO1 (0.44) BRD4ALDH1A1MEN1POLBKMT2A
SCHEMBL4203061 0.82 MEN1 (0.49) BRD4ALDH1A1MEN1POLBKMT2A
SCHEMBL4196329 0.80 NPSR1 (0.47) BRD4ALDH1A1MEN1POLBKMT2A
SCHEMBL4241303 0.77 ALDH1A1 (0.55) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL4238083 0.75 ALDH1A1 (0.56) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL4201370 0.75 SMN1; SMN2 (0.50) ALDH1A1MEN1POLBKMT2AIDO1
SCHEMBL4193513 0.75 SMN1; SMN2 (0.50) BRD4ALDH1A1MEN1POLBKMT2A
SCHEMBL4242390 0.74 ALDH1A1 (0.62) ALDH1A1MEN1POLBKMT2ANPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-04-23 US disclosed
US-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-04-23 US disclosed
US-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-04-23 US disclosed
WO-2009026241-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-02-26 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-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 GPBAR1, GPR119, GRK5 BRD4 2047/4885ALDH1A1 2426/4885MEN1 4670/4885

“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.