SCHEMBL2275002

SCHEMBL2275002

CC(C)(C)OC(=O)n1cnc2c(I)nc(N)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PIK3CA P42336 3/20 0.35
PIK3CD O00329 2/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ADORA2A P29274 9/20 0.34
ADORA1 P30542 9/20 0.34
CYP2C19 P33261 1/20 0.34
MAP4K4 O95819 1/20 0.34
CDK1 P06493 4/20 0.32

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
SCHEMBL12072478 0.85 HSP90AB1 (0.46) HSP90AA1HSP90AB1
SCHEMBL2302499 0.81 CDK2 (0.41) HSP90AA1HSP90AB1CDK2
SCHEMBL5142678 0.80 ADORA2A (0.38) HSP90AA1HSP90AB1ADORA2AADORA1CYP2C19
SCHEMBL4796358 0.79 ADORA2A (0.39) ADORA2AADORA1CYP2C19CDK1CCNB1
SCHEMBL29124866 0.76 CDK1 (0.51) HSP90AA1HSP90AB1ADORA2AADORA1CDK1
SCHEMBL14002358 0.76 ADORA2A (0.59) HSP90AA1HSP90AB1ADORA2AADORA1ADORA3
SCHEMBL14002330 0.76 ADORA2A (0.62) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL17260460 0.74 GSK3B (0.56) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL8496416 0.71 BCHE (0.36) HSP90AA1HSP90AB1
SCHEMBL3002833 0.70 ALDH1A1 (0.34) HSP90AA1HSP90AB1PIK3CDADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536724-B2 PROCESS FOR PREPARING ENTECAVIR AND ITS INTERMEDIATES SCINOPHARM TAIWAN LTD (TW) 2019-10-23 EP disclosed
EP-2536724-B1 PROCESS FOR PREPARING ENTECAVIR AND ITS INTERMEDIATES SCINOPHARM TAIWAN LTD (TW) 2016-11-23 EP disclosed
CN-102741254-B Process for preparing entecavir and intermediates thereof 台湾神隆股份有限公司 2016-08-10 CN disclosed
US-8481728-B2 Process for preparing entecavir and its intermediates SCINOPHARM TAIWAN, LTD. (TW) 2013-07-09 US disclosed
US-8481728-B2 Process for preparing entecavir and its intermediates SCINOPHARM TAIWAN, LTD. (TW) 2013-07-09 US disclosed
US-8481728-B2 Process for preparing entecavir and its intermediates SCINOPHARM TAIWAN, LTD. (TW) 2013-07-09 US disclosed
EP-2536724-A1 PROCESS FOR PREPARING ENTECAVIR AND ITS INTERMEDIATES ScinoPharm Taiwan, Ltd. (TW) 2012-12-26 EP disclosed
CN-102741254-A Process for preparing entecavir and intermediates thereof SCINOPHARM TAIWAN LTD 2012-10-17 CN disclosed
WO-2011102806-A1 PROCESS FOR PREPARING ENTECAVIR AND ITS INTERMEDIATES SCINOPHARM TAIWAN LTD (TW) 2011-08-25 WO disclosed
US-20110201809-A1 Process for Preparing Entecavir and its Intermediates SCINOPHARM TAIWAN, LTD. 2011-08-18 US disclosed
US-20110201809-A1 Process for Preparing Entecavir and its Intermediates SCINOPHARM TAIWAN, LTD. 2011-08-18 US disclosed
US-20110201809-A1 Process for Preparing Entecavir and its Intermediates SCINOPHARM TAIWAN, LTD. 2011-08-18 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 (1 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-20110201809-A1 Process for Preparing Entecavir and its Intermediates ENTPD5, TYMS, TYMP HSP90AA1 3838/4885HSP90AB1 3879/4885PIK3CA 772/4885

“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.