SCHEMBL25753130

SCHEMBL25753130

COc1c(N)ccc2cnn(CC(F)(F)F)c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.41
HTR2C P28335 7/20 0.41
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 2/20 0.35
HTR2B P41595 5/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.33
ADORA2A P29274 3/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL30498325 1.00 HTR2A (0.41) HTR2AHTR2CALDH1A1HSD17B10HTT
SCHEMBL31359665 0.90 HTR2A (0.40) HTR2AHTR2CALDH1A1HSD17B10HTT
SCHEMBL25271978 0.84 HTR2C (0.44) HTR2AHTR2CALDH1A1HSD17B10HTT
SCHEMBL25753129 0.83 HTR2A (0.36) HTR2AHTR2CALDH1A1HSD17B10HTT
SCHEMBL25753193 0.82 HTR2C (0.49) HTR2AHTR2CALDH1A1HSD17B10HTT
SCHEMBL25758418 0.81 MAP3K12 (0.35) HTR2AHTR2CALDH1A1HSD17B10HTT
SCHEMBL30498058 0.81 MAP3K12 (0.35) HTR2AHTR2CALDH1A1HSD17B10HTT
SCHEMBL27199681 0.80 HSD17B10 (0.42) HTR2AHTR2CALDH1A1HSD17B10HTT
Hydrochloric Acid SCHEMBL25289529 0.80 HTR2A (0.41) HTR2AHTR2CALDH1A1HSD17B10HTT
SCHEMBL30498270 0.79 HTR2A (0.40) HTR2AHTR2CALDH1A1HSD17B10HTT

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 4 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
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

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 HTR2A 3276/4885HTR2C 3809/4885ALDH1A1 4805/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 HTR2A 3276/4885HTR2C 3809/4885ALDH1A1 4805/4885
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof TYK2, JAK2, JAK1 HTR2A 3276/4885HTR2C 3809/4885ALDH1A1 4805/4885

“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.