SCHEMBL31680943

SCHEMBL31680943

COC(=O)CCc1ccc2cccc(N)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2D6 P10635 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
TDP2 O95551 1/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 4/20 0.42

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
SCHEMBL30819798 1.00 CYP1A2 (0.50) CYP1A2CYP2C19CYP2D6CYP3A4CYP2C9
SCHEMBL31681025 0.83 CYP1A2 (0.47) CYP1A2CYP2C19CYP2D6CYP3A4CYP2C9
SCHEMBL30819807 0.83 CYP1A2 (0.47) CYP1A2CYP2C19CYP2D6CYP3A4CYP2C9
SCHEMBL5348242 0.79 CYP1A2 (0.57) CYP1A2CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL21617914 0.78 LMNA (0.60) CYP1A2CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL5593842 0.78 CYP1A2 (0.53) CYP1A2CYP3A4KDM4EMAPTPTPN1
SCHEMBL18046156 0.77 ALDH1A1 (0.53) CYP1A2CYP3A4SIRT2ALDH1A1KDM4E
SCHEMBL8610579 0.77 MTNR1A (0.67) MTNR1A
SCHEMBL1067199 0.76 SIRT2 (0.54) SIRT2ALDH1A1KDM4ETDP1PTPN1
SCHEMBL6583329 0.76 F2 (0.46) CYP1A2CYP2C19CYP2D6CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276982-A1 KRAS INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2025-09-04 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-20250276982-A1 KRAS INHIBITORS KRAS, NRAS, HRAS CYP1A2 4673/4885CYP2C19 4367/4885CYP2D6 2896/4885

“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.