SCHEMBL17816446

SCHEMBL17816446

CC(C)(C)c1cnc(Cl)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
PMP22 Q01453 1/20 0.39
SSTR4 P31391 2/20 0.34
ALDH1A1 P00352 5/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KIF11 P52732 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GOT1 P17174 1/20 0.32

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
SCHEMBL3147045 0.80 PIK3CD (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL14616910 0.78 SSTR4 (0.46) CYP3A4SSTR4ALDH1A1TSHRTDP1
SCHEMBL25038132 0.78 ALDH1A1 (0.35) CYP3A4SSTR4ALDH1A1TSHRTDP1
SCHEMBL25004053 0.76 KDM4E (0.43) MAPTCYP3A4MAPK1ALDH1A1TSHR
SCHEMBL26054973 0.74 CAPN1 (0.34) SSTR4ALDH1A1TSHRTDP1KIF11
SCHEMBL25003240 0.74 CHEK1 (0.37) MAPTLMNACYP3A4MAPK1ALDH1A1
SCHEMBL25003399 0.73 ALDH1A1 (0.50) MAPTMAPK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL23478904 0.73 MAOA (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL25003207 0.73 CYP1A2 (0.38) MAPTLMNACYP3A4MAPK1ALDH1A1
SCHEMBL30166157 0.72 PLAU (0.47) PDE4APDE4BPDE4CPDE4DMAPT

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-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 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-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS PDE4A 2968/4885PDE4B 3271/4885PDE4C 2397/4885

“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.