SCHEMBL6926274

SCHEMBL6926274

CCn1nc(C(C)C)c2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.52
▸ PRKDC P78527 4/20 0.52
▸ KDR P35968 5/20 0.45
▸ PIK3CA P42336 3/20 0.45
▸ PIK3CB P42338 3/20 0.45
▸ PIK3CG P48736 3/20 0.45
▸ PI4KB Q9UBF8 3/20 0.45
▸ ABL1 P00519 2/20 0.45
▸ EGFR P00533 2/20 0.45
▸ HCK P08631 2/20 0.45
▸ SRC P12931 2/20 0.45
▸ MTOR P42345 2/20 0.45
▸ EPHB4 P54760 2/20 0.45
▸ RET P07949 7/20 0.44
▸ FYN P06241 3/20 0.44
▸ ATG7 O95352 1/20 0.42
▸ ADORA2A P29274 3/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41

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
SCHEMBL6929476 0.84 PIK3CD (0.48) PIK3CDPRKDCKDRPIK3CAPIK3CB
SCHEMBL16864520 0.82 PIK3CD (0.54) PIK3CDPRKDCKDRPIK3CAPIK3CB
SCHEMBL10261498 0.80 PIK3CD (0.53) PIK3CDPRKDCKDRPIK3CAPIK3CB
SCHEMBL16386311 0.79 XDH (0.38) PIK3CDPRKDCKDRPIK3CAPIK3CB
SCHEMBL6924506 0.79 PIK3CD (0.49) PIK3CDPRKDCKDRPIK3CAPIK3CB
SCHEMBL6925165 0.78 SRC (0.58) PIK3CDPRKDCKDRPIK3CAPIK3CB
SCHEMBL868744 0.78 PIK3CD (0.51) PIK3CDPRKDCKDRPIK3CAPIK3CB
SCHEMBL15826969 0.78 PIK3CD (0.51) PIK3CDPRKDCKDRPIK3CAPIK3CB
SCHEMBL1741570 0.76 PIK3CD (0.46) PIK3CDPRKDCKDRPIK3CAPIK3CB
SCHEMBL24735059 0.75 SRC (0.56) PIK3CDPRKDCKDRPIK3CAPIK3CB

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-20210332057-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-10-28 — — US disclosed
US-20180179210-A1 Inhibitors of the TEC Kinase Enzyme Family PHARMASCIENCE INC. (CA) 2018-06-28 — — US disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 — — US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 — — US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 — — 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 (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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R PIK3CD 725/4885PRKDC 762/4885KDR 3297/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R PIK3CD 725/4885PRKDC 762/4885KDR 3297/4885
US-20210332057-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF BTK, LCK, SYK PIK3CD 307/4885PRKDC 144/4885KDR 1518/4885
US-20180179210-A1 Inhibitors of the TEC Kinase Enzyme Family TEC, BTK, LCK PIK3CD 245/4885PRKDC 42/4885KDR 775/4885

“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.

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