SCHEMBL21050252

SCHEMBL21050252

CCOc1nc(NC(=O)C(C)C)nc2[nH]cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA1 P30542 2/20 0.37
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NOS1 P29475 1/20 0.34
RECQL P46063 1/20 0.34
ADORA2A P29274 1/20 0.34
POLB P06746 1/20 0.33
CDK2 P24941 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 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
SCHEMBL20208722 0.83 ADORA1 (0.37) PRKD3MAPK8MAPK9ALDH1A1LMNA
SCHEMBL29661338 0.83 ADORA1 (0.43) ALDH1A1LMNAADORA1NOS1ADORA2A
SCHEMBL4777464 0.80 ADORA1 (0.41) ALDH1A1LMNAHSD17B10ADORA1CDK5
SCHEMBL30590049 0.80 ADORA1 (0.41) ALDH1A1LMNAHSD17B10ADORA1CDK5
SCHEMBL29665061 0.79 ADORA1 (0.40) ALDH1A1LMNAHSD17B10ADORA1CDK5
SCHEMBL5483576 0.79 ADORA1 (0.40) ALDH1A1LMNAHSD17B10ADORA1CDK5
SCHEMBL29552357 0.76 ADORA1 (0.41) ALDH1A1LMNAHSD17B10ADORA1CDK5
SCHEMBL767308 0.76 LMNA (0.38) ALDH1A1LMNAADORA1CDK5CDK5R1
SCHEMBL20394079 0.76 ADORA1 (0.41) ALDH1A1LMNAHSD17B10ADORA1CDK5
SCHEMBL17367378 0.70 ADORA1 (0.33) ADORA1CDK5CDK5R1NOS1ADORA2A

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-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2021-06-22 US disclosed
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-13 US 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-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors SAMHD1, POLRMT, RNGTT PRKD3 2696/4885MAPK8 2991/4885MAPK9 2090/4885
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SAMHD1, POLRMT, RNGTT PRKD3 2696/4885MAPK8 2991/4885MAPK9 2090/4885

“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.