SCHEMBL25201385

SCHEMBL25201385

[CH2]C(=O)c1ccnc2ccsc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.41
PDPK1 O15530 1/20 0.41
PARP1 P09874 1/20 0.41
AXL P30530 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MET P08581 3/20 0.38
ADORA2A P29274 4/20 0.37
ADORA2B P29275 4/20 0.37
SPR P35270 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA1 P30542 1/20 0.35
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL1150804 0.87 KDR (0.42) KDRPDPK1PARP1AXLMKNK1
SCHEMBL11277616 0.85 KDR (0.44) KDRPDPK1PARP1AXLMKNK1
SCHEMBL10650329 0.84 ALDH1A1 (0.44) KDRPDPK1PARP1AXLMKNK1
SCHEMBL1497897 0.84 MEN1 (0.44) KDRPDPK1PARP1AXLMKNK1
Hydrochloric Acid SCHEMBL6196266 0.82 MEN1 (0.43) KDRPDPK1PARP1AXLMKNK1
SCHEMBL24322141 0.80 AXL (0.38) KDRPDPK1PARP1AXLMKNK1
SCHEMBL25191211 0.80 KDR (0.38) KDRPDPK1PARP1AXLMKNK1
SCHEMBL17440429 0.80 KDR (0.45) KDRMEN1KMT2A
SCHEMBL954193 0.76 AXL (0.38) KDRPDPK1PARP1AXLMKNK1
SCHEMBL25194783 0.73 ALDH1A1 (0.35) KDRPDPK1PARP1AXLMKNK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 US disclosed
EP-4185588-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS Janssen Pharmaceutica NV (BE) 2023-05-31 EP 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-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 KDR 1457/4885PDPK1 1015/4885PARP1 2121/4885

“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.