SCHEMBL25554333

SCHEMBL25554333

CCCCc1cc(Oc2cc(C#N)ccc2-c2ncc(CCN)cn2)n(C)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
PRKDC P78527 1/20 0.32
NSD2 O96028 2/20 0.32
GRM5 P41594 3/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL30353097 1.00 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2PRKDCNSD2
SCHEMBL25554225 0.94 CYP19A1 (0.34) CYP19A1CYP11B1CYP11B2PRKDCNSD2
SCHEMBL30257224 0.94 CYP19A1 (0.34) CYP19A1CYP11B1CYP11B2PRKDCNSD2
SCHEMBL30256764 0.93 CYP11B2 (0.34) CYP19A1CYP11B1CYP11B2PRKDCNSD2
SCHEMBL25554279 0.93 CYP11B2 (0.34) CYP19A1CYP11B1CYP11B2PRKDCNSD2
SCHEMBL30257104 0.88 NSD2 (0.36) CYP19A1CYP11B1CYP11B2PRKDCNSD2
SCHEMBL25554405 0.88 NSD2 (0.36) CYP19A1CYP11B1CYP11B2PRKDCNSD2
SCHEMBL25554363 0.88 CYP19A1 (0.31) CYP19A1CYP11B1CYP11B2PRKDC
SCHEMBL25057903 0.87 CYP19A1 (0.35) CYP19A1CYP11B1CYP11B2PRKDCNSD2
SCHEMBL30257270 0.87 CYP19A1 (0.35) CYP19A1CYP11B1CYP11B2PRKDCNSD2

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
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN claimed
US-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2023-06-01 US disclosed
US-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2023-06-01 US disclosed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 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-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE ARRB1, NR3C2, TRPC6 CYP19A1 3966/4885CYP11B1 300/4885CYP11B2 364/4885

“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.