SCHEMBL30211234

SCHEMBL30211234

[2H]C([2H])([2H])c1cc2cccc(OC)c2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 3/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ BRD1 O95696 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ NQO1 P15559 1/20 0.35
▸ MEN1 O00255 2/20 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
SCHEMBL18000352 0.88 NQO2 (0.50) NQO2CYP19A1HTR2AHTR2CKDM4E
SCHEMBL20505062 0.73 HASPIN (0.46) NQO2CYP19A1HTR2AHTR2CKDM4E
SCHEMBL24136199 0.72 HTR2A (0.43) NQO2CYP19A1HTR2AHTR2CKDM4E
SCHEMBL434941 0.72 CYP19A1 (0.56) NQO2CYP19A1HTR2AHTR2CKDM4E
SCHEMBL11685912 0.72 KMT2A (0.53) NQO2CYP19A1HTR2AHTR2CKDM4E
SCHEMBL21335586 0.71 CCR2 (0.43) NQO2CYP19A1HTR2AHTR2CKDM4E
SCHEMBL3747639 0.71 KDM4E (0.60) NQO2CYP19A1KDM4EALDH1A1HPGD
SCHEMBL476672 0.71 HASPIN (0.41) NQO2CYP19A1HTR2AHTR2CKDM4E
SCHEMBL476682 0.71 HASPIN (0.44) NQO2CYP19A1HTR2AHTR2CKDM4E
SCHEMBL98218 0.70 CYP19A1 (0.54) NQO2CYP19A1KDM4EALDH1A1HPGD

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 2 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

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 NQO2 118/4885CYP19A1 1885/4885HTR2A 3887/4885

“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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