SCHEMBL25220419

SCHEMBL25220419

Nc1cnc(-c2nnn(C3COC3)n2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 9/20 0.32
▸ KDR P35968 3/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ ABL1 P00519 2/20 0.32
▸ EGFR P00533 2/20 0.32
▸ HCK P08631 2/20 0.32
▸ SRC P12931 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ MTOR P42345 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ EPHB4 P54760 2/20 0.32
▸ PRKDC P78527 2/20 0.32
▸ PI4KB Q9UBF8 2/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ RET P07949 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
SCHEMBL29818380 1.00 MAP3K12 (0.32) MAP3K12KDRPIK3CDABL1EGFR
SCHEMBL25208120 0.85 DRD2 (0.31) DRD2DRD4DRD3
SCHEMBL29818300 0.85 DRD2 (0.31) DRD2DRD4DRD3
SCHEMBL29818457 0.76 DRD2 (0.34) DRD2DRD4DRD3
SCHEMBL25418293 0.76 DRD2 (0.34) DRD2DRD4DRD3
SCHEMBL25206827 0.74 EPHX2 (0.39) PIK3CD
SCHEMBL29818606 0.74 EPHX2 (0.39) PIK3CD
SCHEMBL17729276 0.64 ALDH1A1 (0.34) —
SCHEMBL23580186 0.64 OPRL1 (0.33) MAP3K12
SCHEMBL25841139 0.63 ADORA2A (0.33) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148732-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. 2024-05-09 — — US disclosed
EP-4284804-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS Schrödinger, Inc. (US) 2023-12-06 — — EP disclosed
CN-117120442-A Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders 薛定谔公司 2023-11-24 — — CN disclosed
WO-2022164789-A9 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. (US) 2023-05-25 — — WO disclosed
WO-2022164789-A9 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. (US) 2023-05-25 — — WO disclosed
WO-2022164789-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISODERS SCHRÖDINGER, INC. (US) 2022-08-04 — — 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-20240148732-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS MALT1, LITAF, IL2 MAP3K12 2513/4885KDR 4765/4885PIK3CD 2151/4885

“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.

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