SCHEMBL25417815

SCHEMBL25417815

Cn1nnnc1-c1ncc(N)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMO O15229 1/20 0.42
▸ LRRK2 Q5S007 2/20 0.35
▸ GAA P10253 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ POLB P06746 2/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KCNJ5 P48544 2/20 0.30
▸ KCNJ3 P48549 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL29818594 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KMOLRRK2GAACYP1A2
SCHEMBL24441085 0.84 SMN1; SMN2 (0.49) SMN1; SMN2KMOLRRK2GAACYP1A2
SCHEMBL29818433 0.81 SMN1; SMN2 (0.46) SMN1; SMN2KMOLRRK2GAACYP1A2
SCHEMBL25417992 0.81 SMN1; SMN2 (0.46) SMN1; SMN2KMOLRRK2GAACYP1A2
SCHEMBL16014770 0.73 SMN1; SMN2 (0.47) SMN1; SMN2KMOGAALMNACYP3A4
SCHEMBL25206827 0.72 EPHX2 (0.39) LRRK2KCNJ5KCNJ3
SCHEMBL20283662 0.72 ADORA2A (0.32) SMN1; SMN2CYP1A2CYP3A4POLBALDH1A1
SCHEMBL29818606 0.72 EPHX2 (0.39) LRRK2KCNJ5KCNJ3
SCHEMBL4607798 0.70 SMN1; SMN2 (0.51) SMN1; SMN2KMOLRRK2CYP1A2LMNA
SCHEMBL25418401 0.70 HIF1A (0.36) SMN1; SMN2KMOLRRK2GAAHTT

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 SMN1; SMN2 3734/4885KMO 285/4885LRRK2 4303/4885

“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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