SCHEMBL23222003

SCHEMBL23222003

Cc1cnc(NC(C)C)nc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.38
RPS6KA3 P51812 2/20 0.38
AURKA O14965 2/20 0.38
KDR P35968 2/20 0.38
AURKB Q96GD4 2/20 0.38
IGF1R P08069 2/20 0.38
FGFR1 P11362 2/20 0.38
CHEK1 O14757 1/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
LTK P29376 1/20 0.38
GRK5 P34947 1/20 0.38
MAPK9 P45984 1/20 0.38
CDK8 P49336 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
SCHEMBL24650767 0.83 CDK1 (0.38) KDRCDK7CDK9CDK5CDK4
SCHEMBL20132932 0.79 EGFR (0.33) RPS6KA3AURKAKDRLRRK2
SCHEMBL24349477 0.73 PRKAA1 (0.41) MAPK8RPS6KA3AURKAKDRAURKB
SCHEMBL21341719 0.72 POLB (0.35)
SCHEMBL21588003 0.71 JAK2 (0.48) MAPK8RPS6KA3AURKAKDRAURKB
SCHEMBL25950511 0.71 GAA (0.37) MAPK8RPS6KA3AURKAKDRAURKB
SCHEMBL24650191 0.70 LRRK2 (0.54) AURKAKDRIGF1RGSK3BCDK9
SCHEMBL14726084 0.70 NUDT1 (0.32) LMNA
SCHEMBL24650202 0.69 MAPK1 (0.40) CDK7CDK9CCND1MAPK1
SCHEMBL25083781 0.69 GAA (0.40) MAPK8RPS6KA3AURKAKDRAURKB

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-11466013-B2 ERK inhibitor and use thereof BETTA PHARMACEUTICALS CO., LTD (CN) 2022-10-11 US disclosed
EP-3805217-A1 ERK INHIBITOR AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2021-04-14 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-11466013-B2 ERK inhibitor and use thereof MAPK1, MAPK4, MAPK7 MAPK8 13/4885RPS6KA3 151/4885AURKA 1523/4885

“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.