SCHEMBL4828206

SCHEMBL4828206

Cc1ccc(CNc2ccc(-c3nn(C4CCC(N5CCN(C)CC5)CC4)c4nc(CC(=O)O)nc(N)c34)cc2Cl)o1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.48
ERBB2 P04626 7/20 0.48
IGF1R P08069 7/20 0.48
ERBB3 P21860 7/20 0.48
ERBB4 Q15303 7/20 0.48
LCK P06239 13/20 0.48
SRC P12931 13/20 0.48
TEK Q02763 13/20 0.48
KDR P35968 3/20 0.44
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
FYN P06241 1/20 0.42

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
Acetic Acid SCHEMBL4818446 0.88 LCK (0.61) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6431132 0.76 LCK (0.79) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6431127 0.76 LCK (0.79) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL7133149 0.73 LCK (0.68) EGFRERBB2IGF1RERBB3ERBB4
Acetic Acid SCHEMBL6433394 0.73 LCK (0.74) EGFRERBB2ERBB4LCKSRC
Acetic Acid SCHEMBL6433384 0.73 LCK (0.74) EGFRERBB2ERBB4LCKSRC
Acetic Acid SCHEMBL4828171 0.73 LCK (0.61) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6431052 0.73 LCK (0.67) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL6431055 0.73 LCK (0.67) EGFRERBB2IGF1RERBB3ERBB4
Acetic Acid SCHEMBL6430217 0.72 SRC (0.57) EGFRERBB2IGF1RERBB3ERBB4

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-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 US disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 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
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 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-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 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 EGFR 818/4885ERBB2 894/4885IGF1R 4007/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 EGFR 1992/4885ERBB2 682/4885IGF1R 1680/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 EGFR 2229/4885ERBB2 529/4885IGF1R 2189/4885

“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.