SCHEMBL4822253

SCHEMBL4822253

CNC(=O)c1ccc2c(N)cccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
AR P10275 1/20 0.41
P2RX7 Q99572 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HTR3A P46098 1/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
POLB P06746 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL2909537 0.82 MGAM (0.56) GAAMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL4501131 0.81 NCF1 (0.51) BRD4GAAMAPTALDH1A1RAB9A
SCHEMBL3535547 0.81 ALDH1A1 (0.45) GAAMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL4819768 0.80 GRM2 (0.47) GAAALDH1A1RAB9AHTR3APOLB
SCHEMBL1007539 0.78 ALDH1A1 (0.44) BRD4GAAMAPTALDH1A1RAB9A
SCHEMBL9839810 0.75 HDAC8 (0.71) GAAMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL5201133 0.75 ALDH1A1 (0.43) GAAMAPTALDH1A1RAB9AHTR3A
SCHEMBL4820741 0.75 KDM4A (0.50) MAPTALDH1A1RAB9ASMN1; SMN2NFKB1
SCHEMBL8403540 0.73 BRD4 (0.62) BRD4GAAMAPTALDH1A1RAB9A
SCHEMBL16481221 0.73 BRD4 (0.54) BRD4P2RX7SCN10APOLBSCN1A

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-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-7109212-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2006-09-19 US disclosed
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 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 (2 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-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 BRD4 80/4885GAA 2173/4885MAPT 1366/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 BRD4 80/4885GAA 2173/4885MAPT 1366/4885

“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.