SCHEMBL6458940

SCHEMBL6458940

COc1cc(-c2cn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)CCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 15/20 0.76
LCK P06239 15/20 0.76
SRC P12931 14/20 0.76
KDR P35968 5/20 0.60
LIMK1 P53667 3/20 0.60
LIMK2 P53671 1/20 0.60
FYN P06241 2/20 0.58
PAK4 O96013 2/20 0.58
CHEK2 O96017 2/20 0.58
INSR P06213 2/20 0.58
CSF1R P07333 2/20 0.58
LYN P07948 2/20 0.58
HCK P08631 2/20 0.58
FGFR1 P11362 2/20 0.58
RPS6KB1 P23443 2/20 0.58
MARK3 P27448 2/20 0.58
FLT4 P35916 2/20 0.58
FLT3 P36888 2/20 0.58
CSNK1D P48730 2/20 0.58
BLK P51451 2/20 0.58

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
SCHEMBL6458946 1.00 TEK (0.76) TEKLCKSRCKDRLIMK1
SCHEMBL6463636 1.00 TEK (0.76) TEKLCKSRCKDRLIMK1
Maleic Acid SCHEMBL27578432 0.97 TEK (0.71) TEKLCKSRCKDRLIMK1
SCHEMBL6463467 0.89 TEK (0.69) TEKLCKSRCKDRLIMK1
SCHEMBL6883793 0.89 LCK (0.76) TEKLCKSRCKDRLIMK1
SCHEMBL6861366 0.89 SRC (0.59) TEKLCKSRCKDRHCK
SCHEMBL6465540 0.89 SRC (0.59) TEKLCKSRCKDRFYN
SCHEMBL6460212 0.88 TEK (0.74) TEKLCKSRCKDRLIMK1
SCHEMBL6465409 0.88 LCK (0.74) TEKLCKSRCKDRLIMK1
SCHEMBL6465401 0.88 LCK (0.74) TEKLCKSRCKDRLIMK1

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 9 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-7400979-B2 Kinase inhibitors; genetic engineering ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
US-7400979-B2 Kinase inhibitors; genetic engineering ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
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
CN-1335849-A Pyrrolopyrimidines as protein kinase inhibitors BASF AG (DE) 2002-02-13 CN 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 1465/4885LCK 1/4885SRC 46/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI TEK 22/4885LCK 6/4885SRC 206/4885

“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.