SCHEMBL25194689

SCHEMBL25194689

Clc1cc(Br)cnc1-c1nn[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.50
▸ ATM Q13315 1/20 0.43
▸ ADH5 P11766 2/20 0.42
▸ LDHA P00338 1/20 0.41
▸ GPR35 Q9HC97 5/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ RPA1 P27694 1/20 0.40
▸ KMO O15229 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ XDH P47989 2/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.38

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
SCHEMBL29818393 1.00 PTK2 (0.50) PTK2ATMADH5LDHAGPR35
SCHEMBL20265528 0.80 PTK2 (0.50) PTK2ATMADH5GPR35DYRK1A
SCHEMBL30510001 0.77 GPR35 (0.51) PTK2ATMLDHAGPR35RPA1
SCHEMBL25378868 0.77 GPR35 (0.51) PTK2ATMLDHAGPR35RPA1
SCHEMBL31038454 0.75 DYRK1A (0.37) PTK2DYRK1A
SCHEMBL25256052 0.75 DYRK1A (0.37) PTK2DYRK1A
SCHEMBL31501759 0.73 PLAU (0.41) PTK2DYRK1A
SCHEMBL27042006 0.73 PLAU (0.41) PTK2DYRK1A
SCHEMBL31345435 0.68 LDHA (0.46) ATMADH5LDHAGPR35RPA1
SCHEMBL25212088 0.68 BDKRB1 (0.35) —

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 PTK2 4607/4885ATM 3923/4885ADH5 2109/4885

“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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