SCHEMBL22571024

SCHEMBL22571024

O=C1CCCN1c1ccc(-c2cncc(-c3n[nH]c4ncc(CC5CC5)cc34)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CDK2 P24941 5/20 0.37
CCNA2 P20248 4/20 0.37
CCNA1 P78396 4/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
SYK P43405 2/20 0.36
GRK6 P43250 1/20 0.36
PIM1 P11309 1/20 0.36
CD38 P28907 1/20 0.36
TNIK Q9UKE5 1/20 0.35

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
SCHEMBL22553879 0.84 CCNA2 (0.40) CCNCCDK8PRMT5WDR77CDK2
SCHEMBL22553876 0.74 CD38 (0.43) CCNCCDK8SYKGRK6PIM1
SCHEMBL30730831 0.74 CD38 (0.43) CCNCCDK8SYKGRK6PIM1
SCHEMBL22553920 0.71 TNIK (0.40) CCNCCDK8SYKGRK6CD38
SCHEMBL22553955 0.71 PIM1 (0.42) CCNCCDK8PIM1CD38TNIK
SCHEMBL22553727 0.70 ALDH1A1 (0.48) CD38NPC1HPGDCYP11B2
SCHEMBL30730791 0.70 ALDH1A1 (0.48) CD38NPC1HPGDCYP11B2
SCHEMBL22553763 0.70 CD38 (0.41) CCNCCDK8GRK6PIM1CD38
SCHEMBL22553790 0.69 CCNC (0.39) CCNCCDK8GRK6PIM1CD38
SCHEMBL28563345 0.69 NPC1 (0.40) CCNCCDK8SYKCD38NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 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 (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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C CCNC 2067/4885CDK8 1413/4885PRMT5 300/4885

“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.