SCHEMBL21874033

SCHEMBL21874033

Nc1ccc2c(cnn2C(=O)O)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
CSNK1A1 P48729 1/20 0.36
GSK3A P49840 1/20 0.36
LIMK1 P53667 1/20 0.36
IKBKE Q14164 1/20 0.36
MAPK14 Q16539 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
SLC2A1 P11166 2/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KEAP1 Q14145 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL21964282 0.79 MAP2K4 (0.39) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL21874157 0.77 ELANE (0.35) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL13318330 0.77 DDB1 (0.41) NPC1RAB9AKMT2AMEN1
SCHEMBL21874059 0.76 CREBBP (0.43) NPC1RAB9AMAPT
SCHEMBL31424338 0.73 PI4KA (0.37) SLC2A1MAPT
SCHEMBL18953523 0.68 NPC1 (0.32) NPC1RAB9AKMT2AMAPT
SCHEMBL1582546 0.68 NPC1 (0.36) SLC2A1NPC1RAB9AKMT2AMEN1
SCHEMBL3515408 0.68 CHEK1 (0.42) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL31472095 0.68 DDB1 (0.36) KMT2AMEN1MAPT
SCHEMBL20536553 0.67 NR4A1 (0.43) NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP 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-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 CHEK1 2137/4885AURKA 1678/4885DAPK3 2040/4885

“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.