SCHEMBL16701598

SCHEMBL16701598

C=CC(=O)N(CCn1nc(I)c2c(N)ncnc21)Cc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.65
▸ JAK3 P52333 5/20 0.44
▸ BTK Q06187 4/20 0.44
▸ EGFR P00533 4/20 0.44
▸ LCK P06239 3/20 0.44
▸ ITK Q08881 2/20 0.44
▸ JAK2 O60674 5/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SRC P12931 2/20 0.37
▸ JAK1 P23458 1/20 0.36
▸ FGFR2 P21802 3/20 0.36
▸ FGFR1 P11362 2/20 0.36
▸ FGFR4 P22455 2/20 0.36
▸ FGFR3 P22607 2/20 0.36
▸ BCL2A1 Q16548 1/20 0.35
▸ ADK P55263 1/20 0.35

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
SCHEMBL28400492 0.91 PIK3CD (0.54) PIK3CDJAK3BTKEGFRLCK
SCHEMBL16701676 0.82 PIK3CD (0.77) PIK3CDJAK3BTKEGFRLCK
SCHEMBL16701507 0.81 PIK3CD (0.77) PIK3CDJAK3BTKEGFRLCK
SCHEMBL16701488 0.80 PIK3CD (0.86) PIK3CDJAK3BTKEGFRLCK
SCHEMBL16701889 0.77 BTK (0.62) PIK3CDJAK3BTKEGFRLCK
SCHEMBL16701513 0.76 PIK3CD (0.73) PIK3CDJAK3BTKEGFRLCK
SCHEMBL16702425 0.76 BTK (0.63) PIK3CDJAK3BTKEGFRLCK
SCHEMBL16701766 0.75 PIK3CD (0.68) PIK3CDJAK3BTKEGFRLCK
SCHEMBL16701735 0.75 PIK3CD (0.69) PIK3CDJAK3BTKEGFRLCK
SCHEMBL16701441 0.74 PIK3CD (0.53) PIK3CDJAK3BTKEGFRLCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 — — US disclosed
WO-2015069441-A1 PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-14 — — 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-20160272645-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB PIK3CD 2/4885JAK3 124/4885BTK 1/4885

“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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