SCHEMBL20061664

SCHEMBL20061664

CC(C)C(C)Cc1cc2ccccc2cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
PDPK1 O15530 1/20 0.41
PDE10A Q9Y233 4/20 0.40
MDM2 Q00987 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
PLAU P00749 1/20 0.35
BTK Q06187 1/20 0.35
NOTUM Q6P988 1/20 0.34
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
P2RX3 P56373 1/20 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
SCHEMBL3122540 0.85 ATM (0.51) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL3639839 0.82 HTR2A (0.51) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL22431758 0.78 ATM (0.45) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL19214856 0.76 ATM (0.46) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL873512 0.75 CYP1A2 (0.54) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL3634029 0.74 ATM (0.47) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL3959593 0.73 ATM (0.44) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL22144964 0.73 ATM (0.41) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL17573000 0.72 ATM (0.46) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL20132769 0.72 PDE10A (0.55) CYP1A2PDE10AMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428065-B2 Isoxazolyl substituted imidazopyridines CELLCENTRIC LTD (GB) 2019-10-01 US disclosed
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 US disclosed
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 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 (3 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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES EP300, HDAC3, HDAC1 ATM 898/4885L3MBTL1 1692/4885CYP1A2 2584/4885
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 ATM 557/4885L3MBTL1 1462/4885CYP1A2 2680/4885
US-10428065-B2 Isoxazolyl substituted imidazopyridines EP300, HDAC3, HDAC1 ATM 898/4885L3MBTL1 1692/4885CYP1A2 2584/4885

“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.