SCHEMBL6430740

SCHEMBL6430740

CN1CCN(c2ccc(-n3nc(-c4ccc(NS(=O)(=O)c5cccc(Cl)c5Cl)c(F)c4)c4c(N)ncnc43)c(C#N)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.43
▸ ERBB2 P04626 4/20 0.43
▸ IGF1R P08069 4/20 0.43
▸ ERBB3 P21860 4/20 0.43
▸ ERBB4 Q15303 4/20 0.43
▸ KDR P35968 3/20 0.43
▸ LCK P06239 2/20 0.43
▸ EIF2AK3 Q9NZJ5 3/20 0.41
▸ SRC P12931 3/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ ABL1 P00519 2/20 0.40
▸ HCK P08631 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
▸ KIT P10721 1/20 0.40
▸ SGK1 O00141 2/20 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
SCHEMBL6430744 0.81 EGFR (0.51) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6431200 0.79 AURKB (0.52) EGFRKDRLCKSRCPIK3CD
SCHEMBL6431769 0.78 CCR4 (0.46) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6430931 0.75 SGK1 (0.48) EGFRKDREIF2AK3SRCPIK3CD
SCHEMBL6435165 0.75 SRC (0.49) EGFRKDRSRCPIK3CDABL1
SCHEMBL5823867 0.74 KIT (0.46) EGFRKDRSRCPIK3CDABL1
SCHEMBL5803301 0.74 CCR4 (0.51) EGFRKDREIF2AK3SRCPIK3CD
SCHEMBL5822845 0.73 CCR4 (0.47) EGFRKDREIF2AK3SRCPIK3CD
SCHEMBL6433439 0.73 CCR4 (0.55) EGFRKDRSRCPIK3CDABL1
SCHEMBL6430815 0.73 CCR4 (0.57) EGFRKDREIF2AK3SRCPIK3CD

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-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 — — 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
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 (2 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN EGFR 818/4885ERBB2 894/4885IGF1R 4007/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 EGFR 2229/4885ERBB2 529/4885IGF1R 2189/4885

“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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