SCHEMBL22571019

SCHEMBL22571019

CN1c2nccc(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)c2CC1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
NPC1 O15118 1/20 0.38
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
CHEK1 O14757 1/20 0.36
SYK P43405 4/20 0.35
PIP4K2A P48426 1/20 0.35
PIM1 P11309 1/20 0.35
CD38 P28907 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HPGDS O60760 1/20 0.35
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 1/20 0.34
ALOX5AP P20292 1/20 0.34
KIT P10721 1/20 0.34

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
SCHEMBL22553750 0.83 CYP11B2 (0.39) CYP11B2NPC1CCNCCDK8CHEK1
SCHEMBL22553742 0.76 CYP11B2 (0.40) CYP11B2NPC1CCNCCDK8PIP4K2A
SCHEMBL30730827 0.76 CYP11B2 (0.40) CYP11B2NPC1CCNCCDK8PIP4K2A
SCHEMBL30730847 0.76 PIP4K2A (0.40) CYP11B2NPC1CCNCCDK8PIP4K2A
SCHEMBL22553771 0.76 PIP4K2A (0.40) CYP11B2NPC1CCNCCDK8PIP4K2A
SCHEMBL22553945 0.75 PIP4K2A (0.55) CYP11B2NPC1CCNCCDK8CHEK1
SCHEMBL30730807 0.75 PIP4K2A (0.55) CYP11B2NPC1CCNCCDK8CHEK1
SCHEMBL22554234 0.74 CCNC (0.41) CYP11B2NPC1CCNCCDK8CHEK1
SCHEMBL22554028 0.74 MEN1 (0.40) CYP11B2NPC1CCNCCDK8PIP4K2A
SCHEMBL30731000 0.74 MEN1 (0.40) CYP11B2NPC1CCNCCDK8PIP4K2A

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 CYP11B2 3643/4885NPC1 1648/4885CCNC 2067/4885

“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.