SCHEMBL25289487

SCHEMBL25289487

COc1nc(NN)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.44
TXNRD1 Q16881 14/20 0.42
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
S1PR4 O95977 2/20 0.40
MAPT P10636 2/20 0.40
S1PR1 P21453 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
JAK2 O60674 1/20 0.39
HSP90AA1 P07900 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSR P00390 2/20 0.38

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
SCHEMBL25637893 0.81 BRD4 (0.47) MERTKTXNRD1HTTALDH1A1MAPT
SCHEMBL5553628 0.81 SYK (0.43) MERTKTXNRD1MAPT
SCHEMBL7018840 0.80 MERTK (0.42) MERTKTXNRD1HTTALDH1A1MAPT
SCHEMBL10740434 0.80 TXNRD1 (0.58) TXNRD1HTTS1PR4MAPTS1PR1
SCHEMBL21436737 0.78 MERTK (0.51) MERTKTXNRD1HTTALDH1A1S1PR4
SCHEMBL15167574 0.78 TSHR (0.40) TXNRD1HTTALDH1A1MAPTTDP1
SCHEMBL19172520 0.78 LMNA (0.51) MERTKALDH1A1MAPTRAB9A
SCHEMBL29983153 0.76 MERTK (0.49) MERTKTXNRD1HTTALDH1A1S1PR4
SCHEMBL15514986 0.76 MERTK (0.49) MERTKTXNRD1HTTALDH1A1S1PR4
SCHEMBL27199647 0.75 TXNRD1 (0.41) MERTKTXNRD1ALDH1A1MAPTMAPK1

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-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

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 MERTK 167/4885TXNRD1 1647/4885HTT 1029/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 MERTK 167/4885TXNRD1 1647/4885HTT 1029/4885
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof TYK2, JAK2, JAK1 MERTK 167/4885TXNRD1 1647/4885HTT 1029/4885

“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.