SCHEMBL4091816

SCHEMBL4091816

NCc1nc(N2CCOCC2)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
MAPT P10636 2/20 0.64
ALDH1A1 P00352 9/20 0.63
HPGD P15428 6/20 0.63
GLA P06280 2/20 0.63
GAA P10253 2/20 0.63
PDE10A Q9Y233 1/20 0.59
HTT P42858 4/20 0.56
LMNA P02545 4/20 0.56
CYP1A2 P05177 6/20 0.55
CYP3A4 P08684 6/20 0.55
MAPK1 P28482 5/20 0.55
ALOX15 P16050 4/20 0.55
USP2 O75604 4/20 0.55
CLK4 Q9HAZ1 4/20 0.55
TSHR P16473 4/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
CASP7 P55210 1/20 0.55
METAP1 P53582 1/20 0.55

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
SCHEMBL4084496 0.87 L3MBTL1 (0.60) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL639370 0.86 KDM4E (0.64) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL11739114 0.81 KDM4E (0.69) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL1772534 0.79 KDM4E (0.71) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL11738520 0.79 ALDH1A1 (0.97) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL4095134 0.78 KDM4E (0.69) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL1772535 0.78 MEN1 (0.70) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL11735846 0.78 KDM4E (0.64) KDM4EMAPTALDH1A1HPGDGLA
Hydrochloric Acid SCHEMBL1088888 0.77 KDM4E (0.66) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL3748887 0.77 HTT (0.84) KDM4EMAPTALDH1A1HPGDGLA

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 2 patents. 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
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO 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 KDM4E 1626/4885MAPT 4125/4885ALDH1A1 4857/4885

“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.