SCHEMBL25418293

SCHEMBL25418293

Clc1cc(N=C(c2ccccc2)c2ccccc2)cnc1-c1nnn(C2COC2)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL29818457 1.00 DRD2 (0.34) DRD2DRD4DRD3HSD11B1CYP1A2
SCHEMBL25419864 0.81 DRD4 (0.34) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29818445 0.81 DRD4 (0.34) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29818587 0.79 KDM2B (0.36) —
SCHEMBL25417390 0.79 KDM2B (0.36) —
SCHEMBL25220419 0.76 MAP3K12 (0.32) DRD2DRD4DRD3
SCHEMBL29818380 0.76 MAP3K12 (0.32) DRD2DRD4DRD3
SCHEMBL25208120 0.76 DRD2 (0.31) DRD2DRD4DRD3
SCHEMBL29818300 0.76 DRD2 (0.31) DRD2DRD4DRD3
SCHEMBL25418401 0.70 HIF1A (0.36) HSD11B1NPSR1

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-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

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 DRD2 4362/4885DRD4 4663/4885DRD3 4241/4885

“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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