SCHEMBL16655562

SCHEMBL16655562

COc1ccc(CNc2nccc3[nH]ncc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
EGFR P00533 1/20 0.50
NR2F2 P24468 1/20 0.50
MAP2K4 P45985 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PLK4 O00444 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
OXTR P30559 1/20 0.46
HTT P42858 1/20 0.46
CLK4 Q9HAZ1 2/20 0.46
ROCK2 O75116 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ROCK1 Q13464 1/20 0.46
PRKG1 Q13976 1/20 0.46
PDE5A O76074 1/20 0.46

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
SCHEMBL29363298 1.00 POLB (0.50) POLBEGFRNR2F2MAP2K4MEN1
SCHEMBL29366544 0.88 MAPT (0.50) POLBMEN1KMT2AMAPTHTT
SCHEMBL28701478 0.88 MAPT (0.50) POLBMEN1KMT2AMAPTHTT
Hydrochloric Acid SCHEMBL8888083 0.80 LMNA (0.67) POLBEGFRNR2F2MEN1KMT2A
SCHEMBL24087494 0.79 MAP2K4 (0.53) POLBEGFRMAP2K4MEN1KMT2A
SCHEMBL25804253 0.77 THRB (0.52) POLBEGFRNR2F2MAP2K4MEN1
SCHEMBL31473778 0.76 WNT3A (0.62) POLBEGFRNR2F2MEN1KMT2A
SCHEMBL30782002 0.76 EGFR (0.55) POLBEGFRNR2F2MAP2K4MEN1
SCHEMBL25290053 0.76 MAP2K4 (0.49) POLBEGFRNR2F2MAP2K4MEN1
SCHEMBL2059315 0.75 MAPT (0.54) POLBEGFRNR2F2MAP2K4MEN1

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-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
WO-2021027594-A1 IMIDAZOLOPYRIMIDINE COMPOUNDS COMPRISING FUSED RING GROUP, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-02-18 WO disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO 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 POLB 1191/4885EGFR 828/4885NR2F2 3521/4885

“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.