SCHEMBL30007169

SCHEMBL30007169

COc1cc(C(N)=O)cc2cc(C)nnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
APOBEC3A P31941 1/20 0.45
HTT P42858 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
BPTF Q12830 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
HPGDS O60760 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
POLB P06746 1/20 0.38
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL30471266 0.90 NNMT (0.38) TSHRAPOBEC3AHTTAPOBEC3GBPTF
SCHEMBL23905617 0.86 LMNA (0.50) TSHRHTTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL23904745 0.86 CA12 (0.50) TSHRHTTMAPK1POLBF2
SCHEMBL23930205 0.86 TSHR (0.40) TSHRAPOBEC3AHTTAPOBEC3GBPTF
SCHEMBL23905572 0.85 KDM4E (0.47) TSHRALDH1A1HPGDSCYP3A4POLB
SCHEMBL30211269 0.83 TSHR (0.34) TSHRAPOBEC3AHTTAPOBEC3GSMN1; SMN2
SCHEMBL23904746 0.82 HPGDS (0.51) ALDH1A1SMN1; SMN2HPGDSPOLBKDM4E
SCHEMBL30211249 0.82 PDE4D (0.39) TSHR
SCHEMBL23905792 0.81 POLB (0.44) ALDH1A1SMN1; SMN2HPGDSPOLBF2
SCHEMBL30007092 0.81 PARP1 (0.48) TSHRAPOBEC3AHTTAPOBEC3GBPTF

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
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2023052593-A1 RSV INHIBITING SPIRO BEARING DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-04-06 WO 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.