Sugi Predict

Sugi Predict / Compounds / SCHEMBL6459716

SCHEMBL6459716

SCHEMBL6459716

CN1CCN([C@H]2CC[C@H](n3cc(-c4ccc(NS(=O)(=O)c5ccc(F)cc5)c(F)c4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 3/20 0.73
▸ EGFR P00533 2/20 0.58
▸ ERBB2 P04626 2/20 0.58
▸ ERBB4 Q15303 2/20 0.58
▸ IGF1R P08069 1/20 0.58
▸ ERBB3 P21860 1/20 0.58
▸ EIF2AK3 Q9NZJ5 3/20 0.55
▸ LCK P06239 2/20 0.55
▸ SRC P12931 2/20 0.55
▸ PLK4 O00444 1/20 0.55
▸ DCLK1 O15075 1/20 0.55
▸ PDPK1 O15530 1/20 0.55
▸ PRKD3 O94806 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ PAK4 O96013 1/20 0.55
▸ CHEK2 O96017 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ NTRK1 P04629 1/20 0.55
▸ INSR P06213 1/20 0.55
▸ FYN P06241 1/20 0.55

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
SCHEMBL6459712 1.00 TEK (0.73) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6465140 1.00 TEK (0.73) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL14183079 0.95 TEK (0.72) TEKEGFRERBB2ERBB4IGF1R
Maleic Acid SCHEMBL27580314 0.94 TEK (0.68) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6459554 0.93 TEK (0.70) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6459888 0.92 TEK (0.72) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6462087 0.91 TEK (0.67) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6883405 0.91 TEK (0.65) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6462003 0.89 TEK (0.68) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6460446 0.89 TEK (0.62) TEKEGFRERBB2ERBB4IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 — — US claimed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 — — US claimed
CN-1335849-A Pyrrolopyrimidines as protein kinase inhibitors BASF AG (DE) 2002-02-13 — — CN claimed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 — — US disclosed
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 — — US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 — — 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 TEK 1465/4885EGFR 818/4885ERBB2 894/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI TEK 22/4885EGFR 457/4885ERBB2 341/4885

“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.