SCHEMBL31076304

SCHEMBL31076304

O=C(O)C1CC1c1ccncn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 8/20 0.40
FFAR1 O14842 4/20 0.38
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 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
NR4A2 P43354 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
CYP2C8 P10632 1/20 0.36
EPHX2 P34913 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL31355227 0.85 GPR88 (0.41) GPR88NAMPTALDH1A1LMNAGAA
SCHEMBL31076266 0.77 GPR88 (0.42) GPR88
SCHEMBL31332780 0.77 RIPK1 (0.48) GPR88FFAR1ALDH1A1LMNANR4A2
SCHEMBL29730159 0.77 RIPK1 (0.48) GPR88FFAR1ALDH1A1LMNANR4A2
SCHEMBL2518996 0.77 RIPK1 (0.48) GPR88FFAR1ALDH1A1LMNANR4A2
SCHEMBL1207556 0.77 RIPK1 (0.48) GPR88FFAR1ALDH1A1LMNANR4A2
SCHEMBL3596616 0.77 RIPK1 (0.48) GPR88FFAR1ALDH1A1LMNANR4A2
SCHEMBL13167851 0.77 RIPK1 (0.48) GPR88FFAR1ALDH1A1LMNANR4A2
SCHEMBL1017427 0.74 ALDH1A1 (0.57) GPR88FFAR1NAMPTALDH1A1LMNA
SCHEMBL1017425 0.74 ALDH1A1 (0.57) GPR88FFAR1NAMPTALDH1A1LMNA

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 GPR88 1390/4885FFAR1 2784/4885NAMPT 1993/4885
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 GPR88 1390/4885FFAR1 2784/4885NAMPT 1993/4885
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 GPR88 1390/4885FFAR1 2784/4885NAMPT 1993/4885

“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.