SCHEMBL10199672

SCHEMBL10199672

CC(C)c1ccnc2[nH]c(=O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.45
PDE3A Q14432 17/20 0.45
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
IGF1R P08069 1/20 0.40
FLT1 P17948 1/20 0.40
LTK P29376 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CLK2 P49760 1/20 0.40

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
SCHEMBL1577362 0.77 AURKA (0.47) AURKAMAP4K4ABL1CSF1RRET
SCHEMBL5676640 0.77 PDE3B (0.53) PDE3BPDE3AAURKADAPK3JAK2
SCHEMBL10298653 0.76 PDE3B (0.45) PDE3BPDE3AAURKA
SCHEMBL9909697 0.75 KDM4E (0.39) PDE3BPDE3AAURKADAPK3JAK2
SCHEMBL22864137 0.74 ADRB2 (0.45)
SCHEMBL24139779 0.74 IKBKB (0.46) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL13975969 0.74 IKBKB (0.43) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL10308523 0.74 PDE3B (0.54) PDE3BPDE3AHCAR1
SCHEMBL84365 0.73 PRKCI (0.53) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL29397850 0.73 PDE3B (0.45) PDE3BPDE3AAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-7777040-B2 Certain substituted ureas, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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 (3 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-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PDE3B 1572/4885PDE3A 2568/4885AURKA 2058/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 PDE3B 897/4885PDE3A 1210/4885AURKA 169/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS PDE3B 3893/4885PDE3A 3158/4885AURKA 3231/4885

“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.