SCHEMBL3124098

SCHEMBL3124098

Nc1ncnc2c(I)nn(-c3ccc([N+](=O)[O-])cc3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.53
▸ MAPT P10636 3/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL5803258 0.81 XDH (0.58) XDHMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL3119145 0.73 SRC (0.40) XDHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5819432 0.73 XDH (0.43) XDHMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL3119106 0.71 XDH (0.40) XDHMAPTNPC1RAB9AALDH1A1
SCHEMBL6667087 0.70 MAPT (0.41) XDHMAPTMEN1KMT2ANPC1
SCHEMBL3868995 0.69 XDH (1.00) XDHMAPTMEN1KMT2ACYP1A2
SCHEMBL31736051 0.69 NPC1 (0.45) XDHMAPTMEN1KMT2ACYP3A4
SCHEMBL5118469 0.68 PI4KA (0.63) XDHMAPTMEN1KMT2ACYP1A2
SCHEMBL14693600 0.68 XDH (0.46) XDHMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL15708517 0.68 XDH (0.52) XDHMAPTPIK3CDPIK3CAPIK3CB

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-7829570-B2 Substituted 4-amino isoxazolo[5,4-d]pyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2010-11-09 — — US disclosed
US-20100041676-A1 Kinase inhibitors ABBVIE INC. 2010-02-18 — — US disclosed
US-20030225098-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-12-04 — — US disclosed
US-20030199525-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-23 — — 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 (3 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-20030199525-A1 Kinase inhibitors MAP3K19, MAP3K9, MAP3K1 XDH 1187/4885MAPT 4355/4885PIK3CD 144/4885
US-20030225098-A1 Kinase inhibitors MAP3K19, MAP3K9, MAP3K1 XDH 1215/4885MAPT 4419/4885PIK3CD 151/4885
US-20100041676-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K6 XDH 1780/4885MAPT 3351/4885PIK3CD 236/4885

“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.

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