SCHEMBL4894908

SCHEMBL4894908

Cc1ccc2cc(-c3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)n3)[nH]c2c1.O=C(c1ccc(B(O)O)cc1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
RIPK1 Q13546 1/20 0.43
ATR Q13535 7/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
APC P25054 1/20 0.39
GAA P10253 1/20 0.39
JAK2 O60674 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL2925996 0.94 HPGD (0.49) HPGDCDK5CDK5R1RIPK1ATR
SCHEMBL2931324 0.85 ATR (0.48) HPGDCDK5CDK5R1RIPK1ATR
SCHEMBL2927882 0.82 RIPK1 (0.55) HPGDCDK5CDK5R1RIPK1ATR
Hydrochloric Acid SCHEMBL2935656 0.81 RIPK1 (0.54) HPGDCDK5CDK5R1RIPK1ATR
SCHEMBL2930189 0.78 ATR (0.52) HPGDCDK5CDK5R1RIPK1ATR
SCHEMBL13515285 0.77 BTK (0.48) HPGDCDK5CDK5R1RIPK1ATR
Hydrochloric Acid SCHEMBL2933310 0.77 BTK (0.48) HPGDCDK5CDK5R1RIPK1ATR
SCHEMBL16382911 0.73 RIPK1 (0.58) HPGDRIPK1KDM4EALDH1A1HSD17B10
SCHEMBL2936901 0.73 FASN (0.53) HPGDRIPK1JAK2HRH3
SCHEMBL2933173 0.72 HPGD (0.50) HPGDRIPK1ATRALDH1A1JAK2

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-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 HPGD 3066/4885CDK5 240/4885CDK5R1 205/4885

“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.