SCHEMBL4095030

SCHEMBL4095030

CC(C)Nc1nc(CCl)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.60
ACP1 P24666 1/20 0.59
TLR7 Q9NYK1 1/20 0.56
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
CCR4 P51679 3/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
HTT P42858 2/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ELANE P08246 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CCNE2 O96020 3/20 0.43
CCNE1 P24864 3/20 0.43
CDK2 P24941 3/20 0.43

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
SCHEMBL16695847 0.85 CCR4 (0.47) APPACP1TLR7CCR4KMT2A
SCHEMBL4093298 0.84 APP (0.65) APPACP1TLR7BCHEACHE
SCHEMBL4602578 0.80 ACHE (0.44) APPACP1TLR7BCHEACHE
SCHEMBL4602573 0.80 ACHE (0.44) APPACP1TLR7BCHEACHE
SCHEMBL4602300 0.79 TACR3 (0.47) APPACHEKMT2AMAPTMEN1
SCHEMBL4602296 0.79 TACR3 (0.47) APPACHEKMT2AMAPTMEN1
SCHEMBL9260020 0.79 MAPT (0.53) APPBCHEACHEKMT2AMAPT
SCHEMBL4601094 0.78 CXCR2 (0.46) APPACP1BCHEACHEKMT2A
SCHEMBL4601095 0.78 CXCR2 (0.46) APPACP1BCHEACHEKMT2A
SCHEMBL3970144 0.78 NPY5R (0.60) KMT2AMAPTMEN1HTTKDM4E

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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 APP 1979/4885ACP1 3504/4885TLR7 2589/4885

“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.