SCHEMBL21703036

SCHEMBL21703036

Cc1nc(I)c2ncn(C)c2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.47
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
YTHDC1 Q96MU7 2/20 0.41
CDK5 Q00535 1/20 0.40
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE2A O00408 2/20 0.36

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
SCHEMBL4402870 0.81 CDK1 (0.66) CDK1ADORA2AADORA1YTHDC1CCNB1
SCHEMBL790146 0.80 CDK1 (0.46) CDK1ADORA2AADORA1YTHDC1CDK5
SCHEMBL7289687 0.77 CDK1 (0.51) CDK1ADORA2AADORA1YTHDC1CDK5
SCHEMBL12359908 0.74 PKM (0.41) CDK1ADORA2AADORA1YTHDC1CCNB1
SCHEMBL12359911 0.74 KDM4E (0.41) CDK1ADORA2AADORA1YTHDC1CDK5
SCHEMBL24654972 0.74 CDK1 (0.41) CDK1ADORA2AADORA1YTHDC1CDK5
SCHEMBL14441699 0.74 CDK1 (0.41) CDK1ADORA2AADORA1YTHDC1CDK5
SCHEMBL18721931 0.72 ADORA1 (0.60) CDK1ADORA2AADORA1YTHDC1CDK5
SCHEMBL14131868 0.72 CDK1 (0.64) CDK1ADORA2AADORA1YTHDC1CDK5
SCHEMBL19464460 0.68 CDK1 (0.49) CDK1ADORA2AADORA1YTHDC1CDK5

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
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 US disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 US disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 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 (2 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-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 CDK1 1221/4885ADORA2A 4423/4885ADORA1 4786/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 CDK1 1221/4885ADORA2A 4423/4885ADORA1 4786/4885

“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.