SCHEMBL25554648

SCHEMBL25554648

Cn1nc(C2CC2)cc1Oc1cc(C#N)ccc1-c1cc(CCN)ccn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
KCNH2 Q12809 1/20 0.33
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
SCN9A Q15858 3/20 0.31
PTH1R Q03431 2/20 0.31
AXL P30530 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
NSD2 O96028 1/20 0.30
KDM1A O60341 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
SCHEMBL30256745 1.00 CYP19A1 (0.35) CYP19A1CYP11B1CYP11B2KCNH2CCNT1
SCHEMBL30257240 0.93 NSD2 (0.36) CYP19A1CYP11B1CYP11B2KCNH2CCNT1
SCHEMBL25554568 0.93 NSD2 (0.36) CYP19A1CYP11B1CYP11B2KCNH2CCNT1
SCHEMBL25058449 0.88 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2KCNH2CCNT1
SCHEMBL30257448 0.88 KDM1A (0.36) CYP19A1CYP11B1CYP11B2PTH1RAXL
SCHEMBL25554123 0.88 KDM1A (0.36) CYP19A1CYP11B1CYP11B2PTH1RAXL
SCHEMBL25554139 0.87 KDM1A (0.41) CYP19A1CYP11B1CYP11B2PTH1RNSD2
SCHEMBL25058574 0.87 PTH1R (0.38) CYP19A1CYP11B1CYP11B2CCNT1CDK9
SCHEMBL30257537 0.86 CYP19A1 (0.34) CYP19A1CYP11B1CYP11B2SCN9APTH1R
SCHEMBL25554329 0.86 CYP19A1 (0.34) CYP19A1CYP11B1CYP11B2SCN9APTH1R

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-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

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.