SCHEMBL8569871

SCHEMBL8569871

CNC(=O)c1nccnc1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
P2RX7 Q99572 1/20 0.39
GAA P10253 2/20 0.38
PRKCI P41743 2/20 0.38
YTHDC1 Q96MU7 1/20 0.37
KMT2A Q03164 1/20 0.37
BAZ2B Q9UIF8 1/20 0.36
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLK1 P53350 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CNR1 P21554 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL27595047 0.81 KDM4E (0.39) KDM4EALDH1A1MAPTP2RX7GAA
SCHEMBL3461907 0.81 P2RX7 (0.55) KDM4EALDH1A1MAPTP2RX7GAA
SCHEMBL13544819 0.80 ALDH1A1 (0.41) KDM4EALDH1A1MAPTPRKCIYTHDC1
SCHEMBL164943 0.78 YTHDC1 (0.37) KDM4EALDH1A1MAPTPRKCIYTHDC1
SCHEMBL13544546 0.78 KDM4E (0.56) KDM4EALDH1A1MAPTYTHDC1KMT2A
SCHEMBL28052540 0.78 YTHDC1 (0.37) KDM4EALDH1A1MAPTPRKCIYTHDC1
SCHEMBL15995000 0.78 P2RX7 (0.40) KDM4EALDH1A1MAPTP2RX7PRKCI
SCHEMBL12497387 0.77 SCD (0.40) KDM4EALDH1A1MAPTPRKCIYTHDC1
SCHEMBL11877003 0.77 MAPT (0.39) KDM4EALDH1A1MAPTPRKCIYTHDC1
SCHEMBL2593442 0.77 CASP1 (0.38) KDM4EALDH1A1MAPTPRKCIYTHDC1

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
US-11780827-B2 Substituted 3-phenoxyazetidin-1-yl-pyrazines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-10 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-11780827-B2 Substituted 3-phenoxyazetidin-1-yl-pyrazines GPR52, GPR88, GPR65 KDM4E 2808/4885ALDH1A1 1895/4885MAPT 2314/4885

“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.