Sugi Predict

Sugi Predict / Compounds / SCHEMBL4822802

SCHEMBL4822802

SCHEMBL4822802

Cc1cc(C)c2oc(Nc3ccc(-c4nn([C@H]5CC[C@@H](C(=O)O)CC5)c5ncnc(N)c45)cc3)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.73
▸ IGF1R P08069 17/20 0.73
▸ ERBB4 Q15303 16/20 0.73
▸ AURKB Q96GD4 3/20 0.73
▸ KDR P35968 3/20 0.73
▸ PLK4 O00444 2/20 0.73
▸ MAPK13 O15264 2/20 0.73
▸ PDPK1 O15530 2/20 0.73
▸ DAPK3 O43293 2/20 0.73
▸ JAK2 O60674 2/20 0.73
▸ ROCK2 O75116 2/20 0.73
▸ PAK4 O96013 2/20 0.73
▸ ABL1 P00519 2/20 0.73
▸ NTRK1 P04629 2/20 0.73
▸ INSR P06213 2/20 0.73
▸ LCK P06239 2/20 0.73
▸ FYN P06241 2/20 0.73
▸ CDK1 P06493 2/20 0.73
▸ CSF1R P07333 2/20 0.73
▸ LYN P07948 2/20 0.73

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
SCHEMBL4822825 1.00 EGFR (0.73) EGFRIGF1RERBB4AURKBKDR
SCHEMBL4826628 0.93 EGFR (0.75) EGFRIGF1RERBB4AURKBKDR
SCHEMBL4826621 0.93 EGFR (0.75) EGFRIGF1RERBB4AURKBKDR
SCHEMBL3856946 0.91 EGFR (0.77) EGFRIGF1RERBB4AURKBKDR
SCHEMBL6109689 0.91 EGFR (0.77) EGFRIGF1RERBB4AURKBKDR
SCHEMBL3856950 0.91 EGFR (0.77) EGFRIGF1RERBB4AURKBKDR
SCHEMBL6430643 0.91 EGFR (0.70) EGFRIGF1RERBB4AURKBKDR
SCHEMBL4824832 0.89 EGFR (0.68) EGFRIGF1RERBB4AURKBKDR
SCHEMBL6262161 0.89 EGFR (0.58) EGFRIGF1RERBB4AURKBKDR
SCHEMBL6109212 0.89 EGFR (0.80) EGFRIGF1RERBB4AURKBKDR

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 EGFR 818/4885IGF1R 4007/4885ERBB4 835/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 EGFR 1992/4885IGF1R 1680/4885ERBB4 1115/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 EGFR 2229/4885IGF1R 2189/4885ERBB4 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.