SCHEMBL2025331

SCHEMBL2025331

CCCNc1nc(SC)ncc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PGK1 P00558 1/20 0.36

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
SCHEMBL13736032 0.80 KDM4E (0.39) ALDH1A1KDM4EL3MBTL1MEN1GAA
SCHEMBL2480844 0.80 KDM4E (0.45) SMN1; SMN2KDM4EL3MBTL1MEN1GAA
SCHEMBL16094324 0.78 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4EHTTCYP1A2
SCHEMBL16120614 0.78 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4EHTTCYP1A2
SCHEMBL16120607 0.78 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4EHTTHSD17B10
SCHEMBL25271928 0.76 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL3970187 0.76 LRRK2 (0.44) ALDH1A1KDM4EL3MBTL1MEN1GAA
SCHEMBL29313602 0.75 POLB (0.48) SMN1; SMN2ALDH1A1KDM4EL3MBTL1CYP1A2
SCHEMBL16120488 0.75 HTT (0.53) SMN1; SMN2ALDH1A1HTTCYP1A2CYP3A4
SCHEMBL8397028 0.74 KMT2A (0.42) ALDH1A1KDM4EL3MBTL1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956060-B2 Pyrimidine derivative compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-06-07 US disclosed
US-20090012060-A1 Antitumor Agent KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-01-08 US disclosed
EP-1749827-A1 ANTI-TUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-07 EP 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-20090012060-A1 Antitumor Agent NR1H3, NR1I3, NR0B1 SMN1; SMN2 4507/4885ALDH1A1 1834/4885KDM4E 985/4885

“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.