SCHEMBL12844463

SCHEMBL12844463

CCOC(=O)CCc1c(N)ncnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
PLAU P00749 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
LIMK1 P53667 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.36
EP300 Q09472 1/20 0.36
EGFR P00533 1/20 0.36
DHFR P00374 1/20 0.36

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
SCHEMBL2058509 0.93 CYP1A2 (0.42) L3MBTL1CYP4F2CYP4A11ALDH1A1PLAU
SCHEMBL13216734 0.85 L3MBTL1 (0.50) L3MBTL1CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL12590746 0.85 SMN1; SMN2 (0.46) L3MBTL1ALDH1A1KDM4EGAATSHR
SCHEMBL12590776 0.82 CYP1A2 (0.44) L3MBTL1CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL12776469 0.80 PKM (0.37) L3MBTL1ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL12844326 0.80 L3MBTL1 (0.43) L3MBTL1CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL2059037 0.77 HDAC8 (0.34)
SCHEMBL2062932 0.77 SMN1; SMN2 (0.44) L3MBTL1KDM4EGAATSHRSMN1; SMN2
SCHEMBL2058462 0.76 HDAC3 (0.37) ALDH1A1SMN1; SMN2MAPTEGFRHSD17B10
SCHEMBL23088192 0.75 CYP4F2 (0.45) L3MBTL1CYP4F2CYP4A11ALDH1A1KDM4E

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
CN-116761801-A Heterocyclic compounds having protein kinase inhibitory activity, pharmaceutical compositions containing the same, and methods of preparing and using the same 四川科伦博泰生物医药股份有限公司 2023-09-15 CN disclosed
WO-2022188792-A1 HETEROCYCLIC COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-09-15 WO disclosed
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2011-03-10 US disclosed
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 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-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF L3MBTL1 1468/4885CYP4F2 1284/4885CYP4A11 2782/4885

“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.