SCHEMBL25418401

SCHEMBL25418401

Cn1nnnc1-c1ncc(N=C(c2ccccc2)c2ccccc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD11B1 P28845 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ LRRK2 Q5S007 2/20 0.31

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
SCHEMBL29818528 1.00 HIF1A (0.36) HIF1ANPSR1RXFP1KMOSMN1; SMN2
SCHEMBL25417390 0.80 KDM2B (0.36) SMN1; SMN2KDM4EGAARAB9ATSHR
SCHEMBL29818587 0.80 KDM2B (0.36) SMN1; SMN2KDM4EGAARAB9ATSHR
SCHEMBL29818445 0.80 DRD4 (0.34) NPSR1
SCHEMBL25419864 0.80 DRD4 (0.34) NPSR1
SCHEMBL24441085 0.75 SMN1; SMN2 (0.49) HIF1ANPSR1RXFP1KMOSMN1; SMN2
SCHEMBL29818433 0.70 SMN1; SMN2 (0.46) HIF1ANPSR1RXFP1KMOSMN1; SMN2
SCHEMBL25417992 0.70 SMN1; SMN2 (0.46) HIF1ANPSR1RXFP1KMOSMN1; SMN2
SCHEMBL25417815 0.70 SMN1; SMN2 (0.46) NPSR1KMOSMN1; SMN2KDM4EGAA
SCHEMBL29818594 0.70 SMN1; SMN2 (0.46) NPSR1KMOSMN1; SMN2KDM4EGAA

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 HIF1A 3497/4885NPSR1 2968/4885RXFP1 4130/4885

“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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