SCHEMBL4828237

SCHEMBL4828237

COc1cccc(CNc2ccc(-c3nn(C4CCNCC4)c4ncnc(N)c34)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.57
FGFR1 P11362 1/20 0.55
LCK P06239 4/20 0.53
TEK Q02763 2/20 0.53
EGFR P00533 11/20 0.53
KDR P35968 7/20 0.53
PIK3CD O00329 6/20 0.53
ABL1 P00519 6/20 0.53
HCK P08631 6/20 0.53
PIK3CA P42336 6/20 0.53
PIK3CB P42338 6/20 0.53
MTOR P42345 6/20 0.53
PIK3CG P48736 6/20 0.53
EPHB4 P54760 6/20 0.53
PRKDC P78527 6/20 0.53
PI4KB Q9UBF8 6/20 0.53
BTK Q06187 6/20 0.51
LYN P07948 1/20 0.51
NUDT14 O95848 1/20 0.50
NUDT5 Q9UKK9 1/20 0.50

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
SCHEMBL4825795 0.90 SRC (0.61) SRCFGFR1LCKTEKEGFR
SCHEMBL4822127 0.87 SRC (0.57) SRCLCKTEKEGFRKDR
SCHEMBL4818663 0.85 LCK (0.52) SRCFGFR1LCKTEKEGFR
SCHEMBL4824869 0.84 EGFR (0.57) SRCFGFR1LCKTEKEGFR
Acetic Acid SCHEMBL6463967 0.84 LCK (0.67) SRCLCKTEKEGFRKDR
Acetic Acid SCHEMBL6463973 0.84 LCK (0.67) SRCLCKTEKEGFRKDR
SCHEMBL4826519 0.84 FGFR1 (0.59) SRCFGFR1LCKTEKEGFR
SCHEMBL4827168 0.80 BTK (0.55) SRCLCKTEKEGFRKDR
SCHEMBL24196857 0.80 BTK (0.68) SRCFGFR1LCKTEKEGFR
SCHEMBL30415789 0.80 BTK (0.68) SRCFGFR1LCKTEKEGFR

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 8 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
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP 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
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP 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
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 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 (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 SRC 46/4885FGFR1 1437/4885LCK 1/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 SRC 2167/4885FGFR1 242/4885LCK 1534/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885FGFR1 282/4885LCK 1011/4885

“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.