SCHEMBL22895347

SCHEMBL22895347

c1cc(-c2cncs2)nc(N[C@@H]2CCNC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.52
CCNK O75909 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
MKNK1 Q9BUB5 3/20 0.46
MKNK2 Q9HBH9 2/20 0.46
CDK1 P06493 3/20 0.46
CDK4 P11802 3/20 0.46
CCNB1 P14635 3/20 0.46
CCNA2 P20248 3/20 0.46
CCND1 P24385 3/20 0.46
CDK2 P24941 3/20 0.46
CCNA1 P78396 3/20 0.46
MAPK8 P45983 4/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
PRKCI P41743 2/20 0.40
MAPK9 P45984 2/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
MAPK1 P28482 1/20 0.40
CSNK1A1 P48729 1/20 0.40

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
SCHEMBL8091840 0.75 IKBKB (0.60) IKBKBMKNK1CDK1CDK4CCNB1
SCHEMBL3644162 0.74 IKBKB (0.58) IKBKBMKNK1MKNK2CDK1CDK4
Hydrochloric Acid SCHEMBL23292382 0.74 IKBKB (0.55) IKBKBCCNKCDK12MKNK1MKNK2
Hydrochloric Acid SCHEMBL23292386 0.74 IKBKB (0.55) IKBKBCCNKCDK12MKNK1MKNK2
SCHEMBL3650345 0.74 IKBKB (0.58) IKBKBMKNK1MKNK2CDK1CDK4
SCHEMBL23295762 0.73 CCNK (0.67) IKBKBCCNKCDK12CCNA2CDK2
SCHEMBL23292221 0.73 CCNK (0.67) IKBKBCCNKCDK12CCNA2CDK2
SCHEMBL28552906 0.73 CCNK (0.67) IKBKBCCNKCDK12CCNA2CDK2
SCHEMBL30565323 0.71 PRKCZ (0.52) IKBKBCCNKCDK12MKNK1MKNK2
SCHEMBL4196303 0.70 CDK2 (0.54) MKNK1MKNK2CDK1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358958-B2 2022-06-14 US disclosed
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2021-05-06 US disclosed
US-10894788-B2 Inhibitors of cyclin-dependent kinases KINNATE BIOPHARMA INC. (US) 2021-01-19 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 (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-11358958-B2 CDK2, CDK1, CDK6 IKBKB 191/4885CCNK 7/4885CDK12 19/4885
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 IKBKB 233/4885CCNK 2/4885CDK12 22/4885
US-10894788-B2 Inhibitors of cyclin-dependent kinases CDK2, CCNK, CDK1 IKBKB 233/4885CCNK 2/4885CDK12 22/4885

“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.