SCHEMBL22474091

SCHEMBL22474091

Cc1cncc(Cc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 18/20 0.64
CYP11B2 P19099 18/20 0.64
CYP3A4 P08684 1/20 0.64
CALM1 P0DP23 1/20 0.48

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
Hydrochloric Acid SCHEMBL26136027 0.98 CYP11B1 (0.62) CYP11B1CYP11B2CYP3A4CALM1
SCHEMBL21251416 0.86 CYP11B1 (0.57) CYP11B1CYP11B2CYP3A4
SCHEMBL28544958 0.85 CALM1 (0.60) CYP11B1CYP11B2CYP3A4CALM1
SCHEMBL19540958 0.84 CYP11B1 (0.51) CYP11B1CYP11B2CYP3A4
SCHEMBL26466869 0.81 CYP11B1 (0.51) CYP11B1CYP11B2CYP3A4
SCHEMBL12659904 0.79 TSHR (0.54) CYP11B1CYP11B2CYP3A4
SCHEMBL5364704 0.79 SRD5A2 (0.58) CYP11B1CYP11B2CYP3A4
SCHEMBL2716882 0.79 CYP11B1 (1.00) CYP11B1CYP11B2CYP3A4
SCHEMBL20826965 0.77 CYP11B1 (0.52) CYP11B1CYP11B2CYP3A4
SCHEMBL25122223 0.77 CYP11B1 (0.49) CYP11B1CYP11B2CYP3A4

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
EP-3572401-B1 ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-09-29 EP disclosed
US-10787435-B2 ASK1 inhibitor and preparation method and use thereof Fuijan Cosunter Pharmaceutical Co. Ltd. (CN) 2020-09-29 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 (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-10787435-B2 ASK1 inhibitor and preparation method and use thereof MARK1, MAP3K1, MAP3K20 CYP11B1 307/4885CYP11B2 483/4885CYP3A4 3977/4885

“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.