SCHEMBL25259201

SCHEMBL25259201

COCC(Oc1cc(C#N)ccn1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
HCRTR2 O43614 5/20 0.34
GRM5 P41594 2/20 0.33
ACACB O00763 3/20 0.32
HRH4 Q9H3N8 1/20 0.32
MGLL Q99685 1/20 0.32
HCRTR1 O43613 3/20 0.32
AAK1 Q2M2I8 2/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
P2RX3 P56373 2/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL30117162 0.83 HCRTR2 (0.35) HCRTR2GRM5ACACBHRH4MGLL
SCHEMBL23977996 0.81 CRHR1 (0.35) KDM4ECYP11B1
SCHEMBL25417413 0.79 CYP11B1 (0.41) HCRTR2GRM5ACACBHRH4MGLL
SCHEMBL30117145 0.79 CYP11B1 (0.41) HCRTR2GRM5ACACBHRH4MGLL
SCHEMBL25257430 0.77 LOXL2 (0.55)
SCHEMBL30399082 0.75 OGA (0.35) KDM4E
SCHEMBL17276076 0.74 ACACB (0.47) JAK2JAK3HCRTR2GRM5ACACB
SCHEMBL10164882 0.74 HCRTR2 (0.43) HCRTR2GRM5ACACBHRH4MGLL
SCHEMBL3924934 0.74 ACACB (0.47) HCRTR2GRM5ACACBMGLLHCRTR1
SCHEMBL25258921 0.73 LOXL2 (0.50)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452944-A1 CYCLOPROPYL COMPOUNDS Icagen, LLC (US) 2024-10-30 EP disclosed
US-20240336571-A1 NOVEL CYCLOPROPYL COMPOUNDS ANGELINI PHARMA S.P.A. (IT) 2024-10-10 US disclosed
WO-2023121992-A1 CYCLOPROPYL COMPOUNDS ICAGEN, LLC (US) 2023-06-29 WO 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-20240336571-A1 NOVEL CYCLOPROPYL COMPOUNDS C1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR1 JAK2 508/4885JAK3 977/4885HCRTR2 1297/4885

“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.