SCHEMBL21691013

SCHEMBL21691013

Cc1ccc2c(c1)CCc1cccnc1C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PTAFR P25105 1/20 0.39
▸ CYP19A1 P11511 4/20 0.38
▸ PDK2 Q15119 1/20 0.35
▸ CYP11B2 P19099 3/20 0.35
▸ CCR1 P32246 2/20 0.34
▸ CCR8 P51685 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34

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
SCHEMBL27027261 0.88 ALDH1A1 (0.46) CYP2D6ALDH1A1GAAMAPTRAB9A
SCHEMBL27027264 0.88 ALDH1A1 (0.46) CYP2D6ALDH1A1GAAMAPTRAB9A
SCHEMBL7255918 0.81 HRH1 (0.45) SMN1; SMN2PTAFRCHRM2CHRM4CHRM5
SCHEMBL29538838 0.81 HRH1 (0.45) SMN1; SMN2PTAFRCHRM2CHRM4CHRM5
SCHEMBL7255805 0.80 CYP2A6 (0.45) ALDH1A1KDM4EPOLBCYP1A2GRIN2D
SCHEMBL18266921 0.78 ALDH1A1 (0.50) CYP2D6ALDH1A1GAAMAPTRAB9A
SCHEMBL6902791 0.76 DRD1 (0.49) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL17032342 0.75 ALDH1A1 (0.43) CYP2D6ALDH1A1GAAMAPTRAB9A
SCHEMBL7424121 0.73 — —
SCHEMBL6903501 0.72 KDM4E (0.50) ALDH1A1GAAMAPTRAB9ASMN1; SMN2

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-10980805-B2 Aza-pyridone compounds and uses thereof Janssen Biopharma, Inc. (US) 2021-04-20 — — US disclosed
US-20200030328-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2020-01-30 — — 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 (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-20200030328-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK CYP2D6 402/4885ALDH1A1 1363/4885GAA 1709/4885
US-10980805-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK CYP2D6 402/4885ALDH1A1 1363/4885GAA 1709/4885

“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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