SCHEMBL25756717

SCHEMBL25756717

CCCn1nc(I)c2c(=O)[nH]ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ADORA2A P29274 3/20 0.34
ADORA2B P29275 1/20 0.34
GAA P10253 1/20 0.34
PDE5A O76074 2/20 0.33
JAK1 P23458 6/20 0.32
JAK2 O60674 5/20 0.32
SLC9A1 P19634 1/20 0.30
ESR1 P03372 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
SCHEMBL27199578 0.88 JAK1 (0.35) ADORA2AADORA2BJAK1JAK2
SCHEMBL27199454 0.80 JAK2 (0.35) JAK1JAK2
SCHEMBL19434558 0.70 CNR1 (0.40) ALDH1A1KDM4EADORA2AGAA
SCHEMBL30498069 0.69 ADORA2A (0.35) ALDH1A1KDM4EADORA2AADORA2BSLC9A1
SCHEMBL25756716 0.69 ADORA2A (0.35) ALDH1A1KDM4EADORA2AADORA2BSLC9A1
SCHEMBL15792245 0.68 GLS (0.47) ALDH1A1KDM4EADORA2AADORA2BGAA
SCHEMBL27199496 0.68 CNR1 (0.35) KDM4EADORA2AADORA2B
SCHEMBL4088623 0.67 ALDH1A1 (0.45) ALDH1A1ADORA2AADORA2BSLC9A1
SCHEMBL20311269 0.65 JAK2 (0.55) JAK1JAK2
SCHEMBL16726599 0.65 DAPK3 (0.40) ADORA2AADORA2BPDE5AJAK1JAK2

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-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO LTD (CN) 2025-04-10 US disclosed
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-10-29 US disclosed
EP-4448514-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2024-10-23 EP disclosed
US-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-04-18 US disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 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 (3 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-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 ALDH1A1 4805/4885KDM4E 404/4885ADORA2A 4530/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 ALDH1A1 4805/4885KDM4E 404/4885ADORA2A 4530/4885
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof TYK2, JAK2, JAK1 ALDH1A1 4805/4885KDM4E 404/4885ADORA2A 4530/4885

“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.