SCHEMBL6318552

SCHEMBL6318552

CCc1ccc(-c2noc(N)c2C(=O)NCc2ccccc2Br)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 4/20 0.41
P2RX7 Q99572 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
RIPK1 Q13546 1/20 0.39
PRNP P04156 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
PDE5A O76074 1/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 3/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PSMD14 O00487 1/20 0.36

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
SCHEMBL6316409 0.89 HPGD (0.45) ALDH1A1P2RX7CA1CA2CA4
SCHEMBL6323533 0.89 ALDH1A1 (0.47) ALDH1A1KMT2AP2RX7CA1CA2
SCHEMBL6317726 0.88 HPGD (0.43) ALDH1A1RIPK1SMN1; SMN2RXFP1MAPT
SCHEMBL6317745 0.88 NPC1 (0.44) ALDH1A1KMT2AP2RX7CA1CA2
SCHEMBL6320130 0.87 CA1 (0.55) ALDH1A1KMT2AP2RX7CA1CA2
SCHEMBL6318110 0.86 ADORA2A (0.42) ALDH1A1KMT2ACA1CA2CA4
SCHEMBL6323849 0.86 NPC1 (0.52) ALDH1A1KMT2ANPC1MEN1KDM4E
SCHEMBL6317805 0.85 GAA (0.48) ALDH1A1KMT2ACA1CA2CA4
SCHEMBL6317310 0.85 NTRK1 (0.45) EPHX2
SCHEMBL6316562 0.82 RAB9A (0.57) ALDH1A1KMT2ANPC1RAB9ATP53

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 4444/4885KMT2A 1089/4885P2RX7 1429/4885

“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.