Sugi Predict

Sugi Predict / Compounds / SCHEMBL4820117

SCHEMBL4820117

SCHEMBL4820117

Cc1ccc2oc(Nc3ccc(-c4nn([C@H]5CC[C@H](N6CCNC(=O)C6)CC5)c5ncnc(N)c45)cc3F)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 17/20 0.67
▸ EGFR P00533 14/20 0.67
▸ ERBB4 Q15303 13/20 0.67
▸ ERBB2 P04626 12/20 0.67
▸ ERBB3 P21860 12/20 0.67
▸ AURKB Q96GD4 4/20 0.59
▸ AURKA O14965 3/20 0.59
▸ LCK P06239 3/20 0.44
▸ PLK4 O00444 2/20 0.44
▸ MAPK13 O15264 2/20 0.44
▸ PDPK1 O15530 2/20 0.44
▸ DAPK3 O43293 2/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ PAK4 O96013 2/20 0.44
▸ ABL1 P00519 2/20 0.44
▸ NTRK1 P04629 2/20 0.44
▸ INSR P06213 2/20 0.44
▸ FYN P06241 2/20 0.44
▸ CDK1 P06493 2/20 0.44

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
SCHEMBL4820107 1.00 IGF1R (0.67) IGF1REGFRERBB4ERBB2ERBB3
SCHEMBL4824623 1.00 IGF1R (0.67) IGF1REGFRERBB4ERBB2ERBB3
SCHEMBL3819964 0.91 EGFR (0.78) IGF1REGFRERBB4ERBB2ERBB3
SCHEMBL6108400 0.91 EGFR (0.78) IGF1REGFRERBB4ERBB2ERBB3
SCHEMBL4824143 0.90 EGFR (0.63) IGF1REGFRERBB4ERBB2ERBB3
SCHEMBL4825917 0.90 EGFR (0.63) IGF1REGFRERBB4ERBB2ERBB3
SCHEMBL4824147 0.90 EGFR (0.63) IGF1REGFRERBB4ERBB2ERBB3
SCHEMBL3815379 0.87 EGFR (0.63) IGF1REGFRERBB4ERBB2ERBB3
SCHEMBL3815384 0.87 EGFR (0.63) IGF1REGFRERBB4ERBB2ERBB3
SCHEMBL7049441 0.80 LCK (0.57) IGF1REGFRERBB4ERBB2ERBB3

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-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 — — US disclosed
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-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 — — US 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 (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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN IGF1R 4007/4885EGFR 818/4885ERBB4 835/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 IGF1R 1680/4885EGFR 1992/4885ERBB4 1115/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 IGF1R 2189/4885EGFR 2229/4885ERBB4 1025/4885

“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.