SCHEMBL6324826

SCHEMBL6324826

Nc1onc(-c2cccnc2)c1C(=O)NCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.56
ALDH1A1 P00352 6/20 0.52
ADORA2A P29274 4/20 0.48
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
BACE1 P56817 2/20 0.44
ADORA1 P30542 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CA2 P00918 1/20 0.42
CSNK1D P48730 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6317756 0.86 ALDH1A1 (0.56) CYP2C9ALDH1A1ADORA2ASMN1; SMN2RAB9A
SCHEMBL6317135 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9AKMT2AMAPK1
SCHEMBL6317147 0.86 ALDH1A1 (0.51) CYP2C9ALDH1A1ADORA2ASMN1; SMN2RAB9A
SCHEMBL6316915 0.86 ALDH1A1 (0.51) ALDH1A1ADORA2ASMN1; SMN2RAB9AKMT2A
SCHEMBL6316553 0.85 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2RAB9AKMT2ACA2
SCHEMBL6324303 0.83 NTRK1 (0.48) ALDH1A1ADORA2ASMN1; SMN2RAB9AKMT2A
SCHEMBL6316081 0.83 ALDH1A1 (0.55) ALDH1A1ADORA2AKMT2APOLBLMNA
SCHEMBL6317902 0.82 CYP2C9 (0.54) CYP2C9ALDH1A1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL6315873 0.82 BACE1 (0.46) ALDH1A1ADORA2ACHRNB2CHRNA4BACE1
SCHEMBL6315811 0.81 TSHR (0.56) CYP2C9ALDH1A1SMN1; SMN2RAB9AKMT2A

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 CYP2C9 4466/4885ALDH1A1 4444/4885ADORA2A 1101/4885

“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.