SCHEMBL22895339

SCHEMBL22895339

Clc1cnc(N[C@@H]2CCNC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.56
▸ BPTF Q12830 2/20 0.46
▸ IKBKB O14920 1/20 0.43
▸ NRAS P01111 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ IRAK1 P51617 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ CCNT1 O60563 7/20 0.42
▸ CCNK O75909 7/20 0.42
▸ CDK9 P50750 7/20 0.42
▸ CDK12 Q9NYV4 7/20 0.42
▸ CCNE1 P24864 6/20 0.42
▸ CDK2 P24941 6/20 0.42
▸ CDK7 P50613 5/20 0.42
▸ CCNH P51946 4/20 0.42
▸ MNAT1 P51948 3/20 0.42
▸ CRBN Q96SW2 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ CLK1 P49759 2/20 0.39

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
SCHEMBL28550160 1.00 MAPK1 (0.56) MAPK1BPTFIKBKBNRASFLT3
SCHEMBL22895627 1.00 MAPK1 (0.56) MAPK1BPTFIKBKBNRASFLT3
Hydrochloric Acid SCHEMBL28551781 0.98 MAPK1 (0.54) MAPK1BPTFIKBKBNRASFLT3
Hydrochloric Acid SCHEMBL28551783 0.98 MAPK1 (0.54) MAPK1BPTFIKBKBNRASFLT3
SCHEMBL31619957 0.89 MAPK1 (0.64) MAPK1IKBKBFLT3IRAK1IRAK4
Trifluoroacetic Acid SCHEMBL28555887 0.86 HRH4 (0.51) MAPK1BPTFCCNT1CCNKCDK9
Trifluoroacetic Acid SCHEMBL28555886 0.86 HRH4 (0.51) MAPK1BPTFCCNT1CCNKCDK9
SCHEMBL17961847 0.83 CCNT1 (0.41) MAPK1BPTFCCNT1CCNKCDK9
SCHEMBL20577266 0.83 SYK (0.44) MAPK1BPTFCCNKCDK12CDK7
SCHEMBL17961848 0.83 CCNT1 (0.41) MAPK1BPTFCCNT1CCNKCDK9

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
US-11358958-B2 — — 2022-06-14 — — US disclosed
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2021-05-06 — — US disclosed
CN-112638373-A Cyclin-dependent kinase inhibitors 金耐特生物制药公司 2021-04-09 — — CN 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 MAPK1 669/4885BPTF 731/4885IKBKB 191/4885
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 MAPK1 412/4885BPTF 780/4885IKBKB 233/4885
US-10894788-B2 Inhibitors of cyclin-dependent kinases CDK2, CCNK, CDK1 MAPK1 412/4885BPTF 780/4885IKBKB 233/4885

“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.

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