SCHEMBL6317699

SCHEMBL6317699

COc1ccc(-c2noc(N)c2C(=O)NCc2ccccc2Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.41
GABRA1 P14867 2/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
P2RX7 Q99572 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA7 P43166 2/20 0.39
HDAC1 Q13547 1/20 0.38
TSHR P16473 1/20 0.38
KLKB1 P03952 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6324368 0.90 MAPT (0.44) ALDH1A1RAB9AMAPTGABRA1NPC1
SCHEMBL6323905 0.90 NPC1 (0.52) ALDH1A1MAPTNPC1LMNAKMT2A
SCHEMBL6317197 0.89 LMNA (0.44) ALDH1A1RAB9AMAPTGABRA1NPC1
SCHEMBL6315275 0.89 NPC1 (0.48) ALDH1A1MAPTGABRA1NPC1LMNA
SCHEMBL6315873 0.87 BACE1 (0.46) ALDH1A1RAB9AMAPTGABRA1NPC1
SCHEMBL6324039 0.86 ALDH1A1 (0.52) ALDH1A1RAB9AMAPTGABRA1LMNA
SCHEMBL6324450 0.86 NTRK1 (0.45) GABRA1NPC1LMNAKMT2AP2RX7
SCHEMBL6318329 0.83 TSHR (0.55) ALDH1A1RAB9AMAPTNPC1LMNA
SCHEMBL6315038 0.82 RAB9A (0.50) ALDH1A1RAB9AMAPTNPC1LMNA
SCHEMBL6323365 0.82 CDK2 (0.47) ALDH1A1RAB9AMAPTGABRA1LMNA

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 ALDH1A1 4444/4885RAB9A 1754/4885MAPT 281/4885

“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.