Sugi Predict

Sugi Predict / Compounds / SCHEMBL6458792

SCHEMBL6458792

SCHEMBL6458792

CC(C(=O)O)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 13/20 0.78
▸ KDR P35968 12/20 0.78
▸ LCK P06239 11/20 0.78
▸ SRC P12931 6/20 0.78
▸ HCK P08631 6/20 0.61
▸ FLT3 P36888 6/20 0.61
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ RGS12 O14924 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ GMNN O75496 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ EGFR P00533 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ FYN P06241 1/20 0.56
▸ LYN P07948 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56

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
SCHEMBL24458550 0.91 TEK (0.74) TEKKDRLCKSRCHCK
SCHEMBL6465948 0.89 TEK (0.71) TEKKDRLCKSRCHCK
SCHEMBL7005359 0.88 TEK (1.00) TEKKDRLCKSRCHCK
SCHEMBL29552512 0.88 TEK (1.00) TEKKDRLCKSRCHCK
SCHEMBL27555108 0.87 TEK (0.74) TEKKDRLCKSRCHCK
SCHEMBL7854929 0.86 TEK (0.67) TEKKDRLCKSRCHCK
SCHEMBL7852443 0.86 TEK (0.66) TEKKDRLCKSRCHCK
SCHEMBL7852446 0.86 TEK (0.66) TEKKDRLCKSRCHCK
SCHEMBL7850701 0.84 TEK (0.64) TEKKDRLCKSRCHCK
SCHEMBL7850705 0.84 TEK (0.64) TEKKDRLCKSRCHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 — — US disclosed
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 — — WO 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
CN-1335849-A Pyrrolopyrimidines as protein kinase inhibitors BASF AG (DE) 2002-02-13 — — CN disclosed
EP-1114053-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 — — EP disclosed
WO-2000017203-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 — — WO 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 1465/4885KDR 3981/4885LCK 1/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI TEK 22/4885KDR 23/4885LCK 6/4885

“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.