SCHEMBL30007781

SCHEMBL30007781

COc1cc(C(N)=O)cc2cc(C)c(F)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
APOBEC3A P31941 1/20 0.43
HTT P42858 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
BPTF Q12830 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
POLB P06746 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HPGDS O60760 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 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
SCHEMBL30339948 0.87 CA12 (0.47) TSHRHTTMAPK1POLBCA12
SCHEMBL23930022 0.87 CA12 (0.47) TSHRHTTMAPK1POLBCA12
SCHEMBL23958606 0.86 KDM4E (0.45) TSHRALDH1A1POLBCYP3A4CA12
SCHEMBL30211240 0.79 BPTF (0.41) TSHRAPOBEC3AHTTAPOBEC3GBPTF
SCHEMBL30007169 0.77 TSHR (0.45) TSHRAPOBEC3AHTTAPOBEC3GBPTF
SCHEMBL30007092 0.75 PARP1 (0.48) TSHRAPOBEC3AHTTAPOBEC3GBPTF
SCHEMBL30007376 0.74 TSHR (0.45) TSHRAPOBEC3AHTTAPOBEC3GBPTF
SCHEMBL30211268 0.72 TSHR (0.41) TSHRAPOBEC3AHTTAPOBEC3GBPTF
SCHEMBL30471201 0.72 TSHR (0.41) TSHRAPOBEC3AHTTAPOBEC3GBPTF
SCHEMBL23195976 0.72 CA12 (0.50) TSHRHTTMAPK1POLBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
EP-4139293-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-03-01 EP disclosed
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN 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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE TSHR 4595/4885APOBEC3A 1106/4885HTT 3024/4885

“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.