SCHEMBL6430744

SCHEMBL6430744

CN1CCN(c2ccc(-n3nc(-c4ccc(N)c(F)c4)c4c(N)ncnc43)c(C#N)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.51
▸ PIK3CD O00329 7/20 0.51
▸ ABL1 P00519 7/20 0.51
▸ HCK P08631 7/20 0.51
▸ SRC P12931 7/20 0.51
▸ KDR P35968 7/20 0.51
▸ PIK3CA P42336 7/20 0.51
▸ PIK3CB P42338 7/20 0.51
▸ MTOR P42345 7/20 0.51
▸ PIK3CG P48736 7/20 0.51
▸ EPHB4 P54760 7/20 0.51
▸ PRKDC P78527 7/20 0.51
▸ RIPK1 Q13546 10/20 0.42
▸ EIF2AK3 Q9NZJ5 1/20 0.42
▸ PI4KB Q9UBF8 2/20 0.41
▸ ERBB2 P04626 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ ERBB3 P21860 1/20 0.40
▸ ERBB4 Q15303 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
SCHEMBL6431200 0.82 AURKB (0.52) EGFRPIK3CDABL1HCKSRC
SCHEMBL6430740 0.81 EGFR (0.43) EGFRPIK3CDABL1HCKSRC
SCHEMBL6438071 0.77 EGFR (0.59) EGFRSRCKDRERBB2IGF1R
SCHEMBL5801898 0.74 SRC (0.54) EGFRPIK3CDABL1HCKSRC
SCHEMBL30320603 0.73 PIK3CD (0.65) EGFRPIK3CDABL1HCKSRC
SCHEMBL21436578 0.73 PIK3CD (0.65) EGFRPIK3CDABL1HCKSRC
SCHEMBL23997145 0.71 SRC (0.55) EGFRPIK3CDABL1HCKSRC
SCHEMBL30320501 0.71 SRC (0.55) EGFRPIK3CDABL1HCKSRC
SCHEMBL24096530 0.71 SRC (0.66) EGFRPIK3CDABL1HCKSRC
SCHEMBL30320556 0.71 SRC (0.66) EGFRPIK3CDABL1HCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 — — US disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 — — US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 — — EP disclosed
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 — — CN disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 — — 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 (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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 EGFR 2229/4885PIK3CD 1497/4885ABL1 124/4885

“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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