SCHEMBL4818663

SCHEMBL4818663

Nc1ncnc2c1c(-c1ccc(NCc3cccc(C(F)(F)F)c3)cc1)nn2C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.52
RIPK1 Q13546 1/20 0.52
SRC P12931 9/20 0.51
KDR P35968 6/20 0.51
BTK Q06187 4/20 0.51
TEK Q02763 3/20 0.51
EGFR P00533 9/20 0.49
PIK3CD O00329 5/20 0.49
PIK3CA P42336 5/20 0.49
PIK3CB P42338 5/20 0.49
PIK3CG P48736 5/20 0.49
PRKDC P78527 5/20 0.49
ABL1 P00519 4/20 0.49
HCK P08631 4/20 0.49
MTOR P42345 4/20 0.49
PI4KB Q9UBF8 4/20 0.49
EPHB4 P54760 3/20 0.49
FGFR1 P11362 1/20 0.47
ITK Q08881 1/20 0.47

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
SCHEMBL4827168 0.90 BTK (0.55) LCKSRCKDRBTKTEK
SCHEMBL4822127 0.87 SRC (0.57) LCKSRCKDRBTKTEK
SCHEMBL4824072 0.86 LCK (0.59) LCKSRCKDRBTKTEK
SCHEMBL4828237 0.85 SRC (0.57) LCKSRCKDRBTKTEK
SCHEMBL4825795 0.80 SRC (0.61) LCKSRCKDRBTKTEK
SCHEMBL4822032 0.80 IGF1R (0.52) LCKSRCKDRBTKTEK
SCHEMBL4826841 0.79 SRC (0.57) LCKSRCKDRBTKTEK
SCHEMBL1320312 0.79 KDR (0.57) LCKRIPK1SRCKDRTEK
SCHEMBL1321162 0.79 KDR (0.57) LCKRIPK1SRCKDRTEK
SCHEMBL1320309 0.79 KDR (0.57) LCKRIPK1SRCKDRTEK

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 LCK 1/4885RIPK1 2517/4885SRC 46/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 LCK 1534/4885RIPK1 3630/4885SRC 2167/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 LCK 1011/4885RIPK1 3799/4885SRC 1834/4885

“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.