SCHEMBL24733003

SCHEMBL24733003

NCc1cccc(Cn2ccnc2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.71
CYP11B2 P19099 11/20 0.71
ADRA2C P18825 1/20 0.67
CYP19A1 P11511 5/20 0.64
TBXAS1 P24557 2/20 0.64
CYP1A2 P05177 1/20 0.64
POLB P06746 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
QPCT Q16769 1/20 0.64
CYP4Z1 Q86W10 1/20 0.64
QPCTL Q9NXS2 1/20 0.64

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
SCHEMBL394308 0.91 CYP11B1 (0.83) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL7284368 0.86 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL27508985 0.84 CYP11B1 (0.51) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL30448042 0.83 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL3092795 0.83 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL860653 0.83 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL12299569 0.83 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL28802722 0.80 CYP11B1 (0.67) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL9747422 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1
SCHEMBL12205 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1TBXAS1

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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 US disclosed
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF TLR7, TLR1, TLR8 CYP11B1 92/4885CYP11B2 122/4885ADRA2C 828/4885

“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.