SCHEMBL25756945

SCHEMBL25756945

CCCc1cnn2ccc(N)c(OC)c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.38
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
CYP19A1 P11511 1/20 0.32
FYN P06241 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HMGCR P04035 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 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
SCHEMBL27199546 0.88 NPBWR1 (0.33) DHFRFYNKDM4EALDH1A1LMNA
SCHEMBL25756946 0.82 AOC1 (0.33) DHFRFYNKDM4EALDH1A1LMNA
SCHEMBL25757594 0.80 ALDH1A1 (0.34) KDM4EALDH1A1LMNAHSD17B10
Hydrochloric Acid SCHEMBL27199305 0.80 RET (0.31)
Hydrochloric Acid SCHEMBL27199601 0.79 ALDH1A1 (0.33) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL25759121 0.79 SMPD3 (0.35) CYP19A1ALDH1A1HSD17B10HTR2AHTR2C
SCHEMBL25757143 0.77 SMPD3 (0.37) ALDH1A1
Hydrochloric Acid SCHEMBL27199529 0.77 SMPD3 (0.34) CYP19A1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL27199419 0.76 SMPD3 (0.36) FYNALDH1A1
Hydrochloric Acid SCHEMBL27199541 0.75 GAA (0.40) ALDH1A1LMNAHTR2AHTR2C

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 DHFR 3982/4885GABRA1 1728/4885GABRB2 2023/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 DHFR 3982/4885GABRA1 1728/4885GABRB2 2023/4885
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof TYK2, JAK2, JAK1 DHFR 3982/4885GABRA1 1728/4885GABRB2 2023/4885

“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.