SCHEMBL21164945

SCHEMBL21164945

CNc1nc(C)cc(N)c1N=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTT P42858 1/20 0.36
TERT O14746 1/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
NCF1 P14598 1/20 0.33
GAA P10253 1/20 0.33
GNG2 P59768 2/20 0.33
GNB1 P62873 2/20 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
SCHEMBL27762225 0.70 RXFP1 (0.39) RXFP1KDM4EMAPTMEN1KMT2A
SCHEMBL22705058 0.68 KDM4E (0.35) RXFP1KDM4EALDH1A1MAPTCYP3A4
SCHEMBL12658526 0.68 CDK2 (0.52) RXFP1KDM4EMAPTTDP1MEN1
SCHEMBL9388104 0.67 KDM4E (0.44) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL25766060 0.65 ALDH1A1 (0.38) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL4861825 0.65 NOS3 (0.38) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL12820920 0.64 KDM4E (0.60) KDM4EMAPTMEN1KMT2APABPC1
SCHEMBL280486 0.63 HTT (0.32) MAPTHTTKMT2A
SCHEMBL11579594 0.62 PTK2 (0.37) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL12303081 0.62 ALDH1A1 (0.46) KDM4EALDH1A1MAPTCYP3A4HPGD

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-10351512-B2 Method of producing organic compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-07-16 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-10351512-B2 Method of producing organic compound LPO, OR10J3, AOX1 RXFP1 4289/4885KDM4E 2658/4885ALDH1A1 790/4885

“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.