SCHEMBL31076243

SCHEMBL31076243

O=C(O)[C@@H]1C[C@H]1c1cncnc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.46
HCAR2 Q8TDS4 1/20 0.40
GPR88 Q9GZN0 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NAMPT P43490 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC4 P56524 2/20 0.38
NR4A2 P43354 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
IDO1 P14902 2/20 0.36

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
SCHEMBL32677636 1.00 FFAR1 (0.46) FFAR1HCAR2GPR88HRH3ALDH1A1
SCHEMBL22101592 0.86 HCAR2 (0.39) FFAR1HCAR2GPR88HRH3ALDH1A1
SCHEMBL29496238 0.82 GPR88 (0.39) FFAR1HCAR2GPR88HRH3ALDH1A1
SCHEMBL31076190 0.82 GPR88 (0.39) HCAR2GPR88HRH3ALDH1A1NAMPT
SCHEMBL29527412 0.78 CYP2A6 (0.56) FFAR1ALDH1A1NAMPTLMNAGAA
SCHEMBL14708963 0.78 CYP2A6 (0.56) FFAR1ALDH1A1NAMPTLMNAGAA
SCHEMBL1207728 0.78 CYP2A6 (0.56) FFAR1ALDH1A1NAMPTLMNAGAA
SCHEMBL30306918 0.78 CYP2A6 (0.56) FFAR1ALDH1A1NAMPTLMNAGAA
SCHEMBL16019160 0.78 CYP2A6 (0.56) FFAR1ALDH1A1NAMPTLMNAGAA
SCHEMBL26555126 0.78 CYP2A6 (0.56) FFAR1ALDH1A1NAMPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250376482-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2025-12-11 US disclosed
US-12247036-B2 Tricyclic compounds for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2025-03-11 US disclosed
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-12-19 US disclosed
EP-4469164-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
WO-2024169914-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-08-22 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 (3 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-20250376482-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B FFAR1 2784/4885HCAR2 1040/4885GPR88 1390/4885
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B FFAR1 2784/4885HCAR2 1040/4885GPR88 1390/4885
US-12247036-B2 Tricyclic compounds for the treatment of cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B FFAR1 2784/4885HCAR2 1040/4885GPR88 1390/4885

“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.