SCHEMBL22912010

SCHEMBL22912010

C=CC(=O)Nc1ccc2c(N3CC[C@@H](N)C3)nncc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.38
MAPK14 Q16539 2/20 0.38
CCNK O75909 5/20 0.37
CDK12 Q9NYV4 5/20 0.37
CDK7 P50613 4/20 0.37
CCNH P51946 4/20 0.37
MNAT1 P51948 4/20 0.37
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 1/20 0.37
PDGFRB P09619 1/20 0.37
NAMPT P43490 1/20 0.36
ABL1 P00519 2/20 0.36
EGFR P00533 2/20 0.36
TGM2 P21980 2/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
LCK P06239 1/20 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
Trifluoroacetic Acid SCHEMBL28729284 0.94 C1S (0.43) MAPK14CCNKCDK12CDK7CCNH
Trifluoroacetic Acid SCHEMBL28729286 0.94 C1S (0.43) MAPK14CCNKCDK12CDK7CCNH
SCHEMBL28729837 0.86 CDK7 (0.38) MAPK14CCNKCDK12CDK7CCNH
SCHEMBL24704356 0.86 GRM4 (0.44) MCHR1EGFRTGM2F13A1TGM1
SCHEMBL28729054 0.86 GRM4 (0.44) MCHR1EGFRTGM2F13A1TGM1
SCHEMBL29595455 0.86 GRM4 (0.44) MCHR1EGFRTGM2F13A1TGM1
SCHEMBL22911959 0.84 TGM2 (0.47) MAPK14CCNKCDK12LMNAPDGFRB
SCHEMBL22912025 0.84 CCNK (0.40) MAT2ACCNKCDK12CDK7CCNH
SCHEMBL24704572 0.81 CCNK (0.43) CCNKCDK12EGFR
SCHEMBL29595528 0.81 CCNK (0.43) CCNKCDK12EGFR

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-20220388990-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2022-12-08 US disclosed
WO-2021011796-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. (US) 2021-01-21 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 (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-20220388990-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 MAT2A 2192/4885MAPK14 365/4885CCNK 2/4885

“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.