SCHEMBL4902865

SCHEMBL4902865

CC(C)c1cnc(-c2cccc(Nc3ccc(N4CCCC4=O)cn3)n2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.35
HPGDS O60760 1/20 0.35
GAA P10253 1/20 0.35
HTR6 P50406 1/20 0.35
SYK P43405 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 2/20 0.34
USP1 O94782 2/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3C2A O00443 1/20 0.34
PIK3C2B O00750 1/20 0.34
PIK3C2G O75747 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
PIP4K2A P48426 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NPC1 O15118 2/20 0.33

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
SCHEMBL4899219 0.97 F10 (0.35) AKR1C3HPGDSGAAHTR6SYK
Hydrochloric Acid SCHEMBL4896665 0.87 NPC1 (0.36) AKR1C3HPGDSGAAHTR6SYK
SCHEMBL4900748 0.85 F10 (0.37) AKR1C3HPGDSGAAHTR6PIP4K2A
SCHEMBL4891094 0.85 AKR1C3 (0.35) AKR1C3HPGDSGAAHTR6CYP1A2
SCHEMBL4895704 0.85 F10 (0.36) AKR1C3HPGDSGAAHTR6SYK
Hydrochloric Acid SCHEMBL5312344 0.85 F10 (0.36) AKR1C3HPGDSGAAHTR6PIP4K2A
SCHEMBL4899139 0.84 CDK4 (0.45) TYK2
SCHEMBL4904679 0.83 CDK4 (0.46) TYK2
SCHEMBL4903017 0.83 F10 (0.40) AKR1C3HPGDSHTR6TYK2
Hydrochloric Acid SCHEMBL28760948 0.82 CDK4 (0.46) TYK2

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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 AKR1C3 1318/4885HPGDS 3156/4885GAA 4613/4885

“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.