SCHEMBL25992002

SCHEMBL25992002

N#Cc1cc(F)c(-c2nc(-c3c(F)cc(C#N)cc3C#N)c(C#N)c(-c3c(F)cc(C#N)cc3C#N)c2C#N)c(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.36
EGLN2 Q96KS0 3/20 0.34
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
TRPV4 Q9HBA0 2/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL25992000 0.84 ADORA2A (0.31) KHK
SCHEMBL10877908 0.77 TRPV4 (0.46) KHKEGLN2CYP11B1CYP11B2TRPV4
SCHEMBL25992003 0.76 KHK (0.36) KHKCYP11B1CYP11B2TRPV4
SCHEMBL25991962 0.75 KHK (0.40) KHKCYP11B1CYP11B2TRPV4ESR1
SCHEMBL25992004 0.74 TRPV4 (0.36) KHKTRPV4
SCHEMBL25991967 0.73 KHK (0.36) KHKTRPV4
SCHEMBL25991969 0.71 TRPV4 (0.38) KHKEGLN2TRPV4
SCHEMBL25991973 0.70 TRPV4 (0.36) KHKTRPV4
SCHEMBL25991997 0.70 TRPV4 (0.33) KHKTRPV4
SCHEMBL2040623 0.70 VCAM1 (0.41) TRPV4

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-20230263053-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2023-08-17 US disclosed
US-20230263053-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2023-08-17 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-20230263053-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME PPOX, CRY1, CRY2 KHK 3132/4885EGLN2 4056/4885CYP11B1 616/4885

“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.