SCHEMBL23917412

SCHEMBL23917412

Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 1.00
SRC P12931 10/20 1.00
MTOR P42345 10/20 1.00
HCK P08631 8/20 1.00
PIK3CD O00329 8/20 1.00
PIK3CA P42336 8/20 1.00
PIK3CB P42338 8/20 1.00
PIK3CG P48736 8/20 1.00
PRKDC P78527 8/20 1.00
EGFR P00533 8/20 1.00
KDR P35968 7/20 1.00
EPHB4 P54760 7/20 1.00
ATR Q13535 6/20 0.67
RET P07949 5/20 0.67
FYN P06241 4/20 0.67
LCK P06239 3/20 0.67
DAPK3 O43293 1/20 0.67
JAK2 O60674 1/20 0.67
ROCK2 O75116 1/20 0.67
PRKD3 O94806 1/20 0.67

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
SCHEMBL24519592 0.85 ABL1 (0.75) ABL1SRCMTORHCKPIK3CD
SCHEMBL27943343 0.83 MTOR (0.71) ABL1SRCMTORHCKPIK3CD
SCHEMBL129497 0.82 PIK3CD (0.83) ABL1SRCMTORHCKPIK3CD
SCHEMBL20553355 0.82 MTOR (0.74) ABL1SRCMTORHCKPIK3CD
SCHEMBL30405669 0.82 MTOR (0.74) ABL1SRCMTORHCKPIK3CD
SCHEMBL25113289 0.82 MTOR (0.71) ABL1SRCMTORHCKPIK3CD
SCHEMBL30203858 0.81 EGFR (1.00) ABL1SRCMTORHCKPIK3CD
SCHEMBL30203857 0.81 EGFR (1.00) ABL1SRCMTORHCKPIK3CD
SCHEMBL12265009 0.81 EGFR (1.00) ABL1SRCMTORHCKPIK3CD
SCHEMBL18250097 0.81 MTOR (0.67) ABL1SRCMTORHCKPIK3CD

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 ABL1 62/4885SRC 92/4885MTOR 27/4885

“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.