SCHEMBL3119145

SCHEMBL3119145

COc1cc(-n2nc(I)c3ncnc(N)c32)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.40
▸ EGFR P00533 3/20 0.40
▸ PI4KB Q9UBF8 3/20 0.40
▸ ABL1 P00519 3/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ HCK P08631 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ MTOR P42345 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ EPHB4 P54760 2/20 0.40
▸ PRKDC P78527 2/20 0.40
▸ PDE5A O76074 1/20 0.37
▸ XDH P47989 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL3108981 0.74 EGFR (0.53) EGFRCSF1R
SCHEMBL3124098 0.73 XDH (0.53) SRCPIK3CDKDRPIK3CAPIK3CB
SCHEMBL17665421 0.70 CSF1R (0.62) CSF1R
SCHEMBL17665719 0.69 CSF1R (0.63) CSF1R
SCHEMBL5796557 0.65 LMNA (0.45) ALDH1A1TDP1
SCHEMBL2006792 0.63 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL4404667 0.62 ABHD16A (0.59) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL22323697 0.62 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL23917259 0.62 EGFR (0.46) SRCEGFRPI4KBABL1PIK3CD
SCHEMBL9153328 0.62 HTT (0.56) ALDH1A1CYP3A4TSHRHSD17B10TDP1

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 SRC 173/4885EGFR 346/4885PI4KB 79/4885
US-20030225098-A1 Kinase inhibitors MAP3K19, MAP3K9, MAP3K1 SRC 242/4885EGFR 298/4885PI4KB 68/4885
US-20100041676-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K6 SRC 51/4885EGFR 232/4885PI4KB 102/4885

“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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