SCHEMBL24815716

SCHEMBL24815716

Cc1nc(-c2cc(F)c(C3C(C)C(=O)N3c3ccc4[nH]cnc4c3)c(F)c2)cs1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 19/20 0.41
▸ ROCK2 O75116 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35

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
SCHEMBL30166844 1.00 QPCT (0.41) QPCTROCK2PIM1GSK3BAURKB
SCHEMBL24816696 1.00 QPCT (0.41) QPCTROCK2PIM1GSK3BAURKB
SCHEMBL26833344 1.00 QPCT (0.41) QPCTROCK2PIM1GSK3BAURKB
SCHEMBL24815787 1.00 QPCT (0.41) QPCTROCK2PIM1GSK3BAURKB
SCHEMBL25708373 0.96 QPCT (0.39) QPCTROCK2PIM1GSK3BAURKB
SCHEMBL24815390 0.84 QPCT (0.42) QPCT
SCHEMBL30166764 0.84 QPCT (0.42) QPCT
SCHEMBL24814385 0.84 QPCT (0.42) QPCT
SCHEMBL24816713 0.84 QPCT (0.42) QPCT
SCHEMBL25708377 0.80 QPCT (0.41) QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118019737-A Beta-lactam derivatives for the treatment of diseases 英矽智能科技知识产权有限公司 2024-05-10 — — CN disclosed
US-11834440-B2 Beta-lactam derivatives for the treatment of diseases INSILICO MEDICINE IP LIMITED (HK) 2023-12-05 — — US disclosed
US-11834440-B2 Beta-lactam derivatives for the treatment of diseases INSILICO MEDICINE IP LIMITED (HK) 2023-12-05 — — US disclosed
US-20230192667-A1 BETA-LACTAM DERIVATIVES FOR THE TREATMENT OF DISEASES INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 — — US disclosed
WO-2022268179-A1 BETA-LACTAM DERIVATIVES FOR THE TREATMENT OF DISEASES INSILICO MEDICINE IP LIMITED (CN) 2022-12-29 — — WO 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 (2 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-20230192667-A1 BETA-LACTAM DERIVATIVES FOR THE TREATMENT OF DISEASES QPCT, QPCTL, BCAT1 QPCT 1/4885ROCK2 3930/4885PIM1 3414/4885
US-11834440-B2 Beta-lactam derivatives for the treatment of diseases QPCT, QPCTL, BCAT1 QPCT 1/4885ROCK2 3930/4885PIM1 3414/4885

“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.

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