SCHEMBL6317147

SCHEMBL6317147

Nc1onc(-c2cccnc2)c1C(=O)NCc1ccccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA7 P43166 2/20 0.43
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 1/20 0.41
ADORA2A P29274 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CYP2C9 P11712 1/20 0.40
P2RX7 Q99572 1/20 0.40
KCNA5 P22460 2/20 0.39
PRNP P04156 1/20 0.39

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 0.88 ALDH1A1 (0.56) ALDH1A1KMT2ATSHRHPGDRAB9A
SCHEMBL6317135 0.88 ALDH1A1 (0.51) ALDH1A1KMT2ATSHRRAB9ASMN1; SMN2
SCHEMBL6316915 0.88 ALDH1A1 (0.51) ALDH1A1KMT2ATSHRHPGDCA1
SCHEMBL6324826 0.86 CYP2C9 (0.56) ALDH1A1KMT2ACA2RAB9ASMN1; SMN2
SCHEMBL6324303 0.85 NTRK1 (0.48) ALDH1A1KMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL6316081 0.85 ALDH1A1 (0.55) ALDH1A1KMT2ATSHRHPGDKDM4E
SCHEMBL6316553 0.85 ALDH1A1 (0.66) ALDH1A1KMT2ATSHRCA1CA2
SCHEMBL6317699 0.81 ALDH1A1 (0.45) ALDH1A1KMT2ATSHRCA1CA2
SCHEMBL6315811 0.80 TSHR (0.56) ALDH1A1KMT2ATSHRHPGDCA1
SCHEMBL6324120 0.80 ALDH1A1 (0.60) ALDH1A1KMT2ATSHRHPGDRAB9A

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 1089/4885TSHR 3971/4885

“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.