SCHEMBL3787263

SCHEMBL3787263

CCn1nc(Nc2ccccc2)c2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.52
▸ PRKDC P78527 2/20 0.52
▸ SRC P12931 5/20 0.49
▸ KDR P35968 3/20 0.47
▸ RET P07949 2/20 0.47
▸ BRAF P15056 2/20 0.46
▸ FYN P06241 4/20 0.44
▸ ABL1 P00519 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ HCK P08631 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ EPHB4 P54760 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL13020058 0.86 SRC (0.69) PIK3CDPRKDCSRCKDRRET
SCHEMBL13020094 0.82 PIK3CD (0.53) PIK3CDPRKDCSRCKDRRET
SCHEMBL15826968 0.77 PIK3CD (0.73) PIK3CDPRKDCSRCKDRRET
SCHEMBL13020098 0.77 PIK3CA (0.42) PIK3CDPRKDCSRCKDRRET
SCHEMBL13064034 0.74 PIK3CD (0.55) PIK3CDPRKDCSRCKDRRET
SCHEMBL10261498 0.74 PIK3CD (0.53) PIK3CDPRKDCSRCKDRRET
SCHEMBL14575510 0.73 RET (0.66) PIK3CDPRKDCSRCKDRRET
SCHEMBL3787803 0.73 RET (0.62) PIK3CDPRKDCSRCKDRRET
SCHEMBL14617700 0.73 SRC (0.54) SRCFYNEGFRPI4KBKDM4E
SCHEMBL8129918 0.73 KDM4E (0.54) ABL1KDM4ETSHRMAPK1HTT

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 3 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
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 1498/4885SRC 1332/4885

“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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