SCHEMBL1058737

SCHEMBL1058737

C=Cc1ccc2ccn(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.37
ABL1 P00519 2/20 0.37
EGFR P00533 2/20 0.37
HCK P08631 2/20 0.37
SRC P12931 2/20 0.37
KDR P35968 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
MTOR P42345 2/20 0.37
PIK3CG P48736 2/20 0.37
EPHB4 P54760 2/20 0.37
PRKDC P78527 2/20 0.37
PI4KB Q9UBF8 2/20 0.37
BUB1 O43683 1/20 0.37
CYP2A6 P11509 1/20 0.37
HTR7 P34969 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
NR1H2 P55055 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL1056554 0.89 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL31229889 0.89 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL29853981 0.88 CYP2A6 (0.51) PIK3CDABL1EGFRHCKSRC
SCHEMBL1056142 0.88 CYP2A6 (0.51) PIK3CDABL1EGFRHCKSRC
SCHEMBL1058266 0.82 ALDH1A1 (0.36) PIK3CDABL1EGFRHCKSRC
SCHEMBL1058264 0.82 ALDH1A1 (0.36) PIK3CDABL1EGFRHCKSRC
SCHEMBL1056550 0.81 TTR (0.46) NR1H2KDM4EALDH1A1ACHEHDAC1
SCHEMBL1056549 0.81 TTR (0.46) NR1H2KDM4EALDH1A1ACHEHDAC1
SCHEMBL1373109 0.80 HTR6 (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL29820909 0.80 HTR6 (0.46) PIK3CDABL1EGFRHCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
US-8691814-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-04-08 US disclosed
US-20110105427-A1 DEAZAPURINES AND USES THEREOF DAUN JANE 2011-05-05 US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 US disclosed
EP-1474425-B9 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2008-07-02 EP disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 US disclosed
US-7314936-B2 Deazapurines and uses thereof EISAI CO., LTD. (JP) 2008-01-01 US disclosed
EP-1707566-A1 Deazapurines and uses thereof Eisai Co., Ltd. (JP) 2006-10-04 EP disclosed
EP-1474425-B1 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-20050124649-A1 Deazapurines and uses thereof EISAI CO., LTD (JP) 2005-06-09 US disclosed
US-20040186127-A1 Novel deazapurines and uses thereof EISAI CO., LTD. (JP) 2004-09-23 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 (4 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-20110105427-A1 DEAZAPURINES AND USES THEREOF TPMT, CD38, CD2 PIK3CD 2949/4885ABL1 1319/4885EGFR 3471/4885
US-20050124649-A1 Deazapurines and uses thereof TPMT, CD38, CD2 PIK3CD 2922/4885ABL1 1396/4885EGFR 3535/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 PIK3CD 2770/4885ABL1 1375/4885EGFR 4514/4885
US-20040186127-A1 Novel deazapurines and uses thereof TPMT, ENTPD5, MTAP PIK3CD 2205/4885ABL1 2796/4885EGFR 4572/4885

“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.