SCHEMBL23917208

SCHEMBL23917208

Nc1ncnc2[nH]nc(-c3ccc(CO)cc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.48
FYN P06241 2/20 0.44
LYN P07948 1/20 0.44
BLK P51451 1/20 0.44
KDR P35968 4/20 0.42
EGFR P00533 3/20 0.42
ABL1 P00519 3/20 0.42
SRC P12931 3/20 0.42
CDK1 P06493 1/20 0.42
ABL2 P42684 1/20 0.42
TEK Q02763 1/20 0.41
LIMK1 P53667 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
PIK3CD O00329 6/20 0.39
PIK3CA P42336 6/20 0.39
PIK3CB P42338 6/20 0.39
PIK3CG P48736 6/20 0.39
PRKDC P78527 6/20 0.39
CSF1R P07333 1/20 0.38

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
SCHEMBL16665784 0.83 PIK3CD (0.55) MAP2K4KDREGFRABL1SRC
SCHEMBL11325 0.83 PIK3CG (0.49) MAP2K4KDREGFRABL1SRC
SCHEMBL30387175 0.83 PIK3CD (0.55) KDREGFRABL1SRCPIK3CD
SCHEMBL5065122 0.80 PIK3CD (0.57) KDREGFRABL1SRCPIK3CD
SCHEMBL3782102 0.80 PIK3CD (0.57) FYNLYNBLKKDREGFR
SCHEMBL15613778 0.80 PIK3CD (0.42) LYNBLKKDRABL1SRC
SCHEMBL3715031 0.80 SRC (0.57) FYNLYNBLKKDREGFR
SCHEMBL408618 0.80 PIK3CD (0.55) KDREGFRABL1SRCCDK1
SCHEMBL19414293 0.77 ALDH1A1 (0.50) KDREGFRABL1SRCPIK3CD
SCHEMBL149528 0.77 KDR (0.52) FYNKDREGFRABL1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB MAP2K4 141/4885FYN 192/4885LYN 32/4885

“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.