SCHEMBL13019688

SCHEMBL13019688

C=CCn1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 0.68
▸ PRKDC P78527 5/20 0.68
▸ PIK3CA P42336 3/20 0.68
▸ PIK3CB P42338 3/20 0.68
▸ PIK3CG P48736 3/20 0.68
▸ CYP1A2 P05177 3/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ SRC P12931 4/20 0.61
▸ ABL1 P00519 3/20 0.61
▸ EGFR P00533 2/20 0.61
▸ HCK P08631 2/20 0.61
▸ KDR P35968 2/20 0.61
▸ MTOR P42345 1/20 0.61
▸ EPHB4 P54760 1/20 0.61
▸ PI4KB Q9UBF8 1/20 0.61
▸ FYN P06241 9/20 0.60
▸ LYN P07948 3/20 0.60

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
SCHEMBL13019687 0.83 CYP1A2 (0.75) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL24096605 0.81 PIK3CD (0.69) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL30387571 0.81 PIK3CD (1.00) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL30320520 0.81 PIK3CD (0.69) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL13019685 0.80 PIK3CD (0.73) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL13019782 0.80 CYP1A2 (1.00) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL13019998 0.80 FYN (0.77) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL13019686 0.80 PIK3CD (0.68) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL13019926 0.80 FYN (0.70) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL3792927 0.79 CYP1A2 (0.69) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B PIK3CD 2217/4885PRKDC 1498/4885PIK3CA 3103/4885

“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.

Send feedback