SCHEMBL2505110

SCHEMBL2505110

CC(N)c1nc2cnccn2c1-c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ CYP2A6 P11509 1/20 0.35
▸ GAA P10253 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TP53 P04637 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12196947 1.00 PIK3CD (0.37) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL12264327 0.78 PIK3CD (0.56) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL12196882 0.77 KDM4E (0.39) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL12264096 0.76 CYP2A6 (0.36) CYP2A6GAAMAPTTP53TDP1
SCHEMBL2509378 0.75 PIK3CD (0.71) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL2507138 0.75 PIK3CD (0.71) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL2548362 0.74 BRAF (0.37) CYP2A6MAPTTP53TDP1KDM4E
SCHEMBL12196977 0.74 DYRK1A (0.36) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL2508774 0.74 DYRK1A (0.36) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL108241 0.67 GABRG2 (0.47) CYP2A6MAPTTP53KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 — — US disclosed
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 — — EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 — — WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 — — 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3R1 48/4885PIK3CA 26/4885

“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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