SCHEMBL10201115

SCHEMBL10201115

CCNC(=O)Nc1ccc(OC)c(Br)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.55
AURKB Q96GD4 2/20 0.55
YES1 P07947 1/20 0.55
HIPK1 Q86Z02 1/20 0.55
PIK3CA P42336 13/20 0.53
MAPK8 P45983 10/20 0.53
MAPK9 P45984 10/20 0.53
MAPK10 P53779 10/20 0.53
ABL1 P00519 1/20 0.48
PIM1 P11309 1/20 0.48
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL10201113 0.81 PIK3CA (0.47) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL10201098 0.77 PGK1 (0.49) KDM4E
SCHEMBL31052622 0.77 PARP2 (0.48) MAPK1AURKBYES1MAPTKDM4E
SCHEMBL7916858 0.75 CYP1A2 (0.52) MAPTMEN1KMT2A
SCHEMBL3790900 0.73 MAPK1 (0.48) MAPK1AURKBYES1HIPK1PIK3CA
SCHEMBL2553395 0.73 MAPK1 (0.49) MAPK1AURKBYES1HIPK1PIK3CA
SCHEMBL1552411 0.73 CHRNB2 (0.51) MAPK1AURKBPIK3CAMAPK8MAPK9
SCHEMBL20565743 0.72 POLB (0.52) MAPTKDM4EMEN1KMT2A
SCHEMBL1932174 0.71 MAPK1 (1.00) MAPK1AURKBYES1HIPK1PIK3CA
SCHEMBL7916840 0.71 ALDH1A1 (0.42) MAPTMEN1KMT2A

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-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 MAPK1 878/4885AURKB 1778/4885YES1 3561/4885

“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.