SCHEMBL21156480

SCHEMBL21156480

CC(C)(C)Cc1ccc(CC(C)(C)Cc2ccncc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
ESR1 P03372 1/20 0.35
BRS3 P32247 1/20 0.35
FDPS P14324 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP19A1 P11511 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18675305 0.95 ESR1 (0.38) CYP11B1CYP11B2ESR1BRS3FDPS
SCHEMBL18647609 0.84 CYP11B1 (0.43) CYP11B1CYP11B2FDPSCYP3A4ALDH1A1
SCHEMBL10223944 0.82 ESR1 (0.45) ESR1BRS3ALDH1A1
SCHEMBL20033692 0.82 BRS3 (0.34) CYP11B1CYP11B2BRS3FDPSCYP3A4
SCHEMBL21157383 0.80 FDPS (0.35) ESR1BRS3FDPSCYP3A4LOXL2
SCHEMBL19273974 0.78 HRH3 (0.40) CYP11B1CYP11B2ESR1BRS3CYP3A4
SCHEMBL22403759 0.76 L3MBTL1 (0.41) ESR1FDPSALDH1A1
SCHEMBL19383796 0.76 CYP3A4 (0.41) FDPSCYP3A4
SCHEMBL15342096 0.75 HRH3 (0.47) ESR1CYP3A4
SCHEMBL24919610 0.75 LOXL2 (0.35) CYP11B1CYP11B2ESR1FDPSCYP17A1

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-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2021-04-06 US disclosed
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HAIHE BIOPHARMA CO. LTD. (CN) 2019-07-11 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-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof EZH2, IKZF2, SUZ12 CYP11B1 373/4885CYP11B2 523/4885ESR1 1475/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 CYP11B1 373/4885CYP11B2 523/4885ESR1 1475/4885

“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.