SCHEMBL98494

SCHEMBL98494

COC(Sc1ncccn1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 2/20 0.37
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRM2 P08172 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 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
SCHEMBL6651178 0.73 KMT2A (0.40) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL31499299 0.73 KMT2A (0.40) KMT2ASLC6A3ALDH1A1CHRM2
SCHEMBL1782470 0.73 KMT2A (0.40) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL546542 0.70 KMT2A (0.38) KMT2ASLC6A3SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5503227 0.70 KMT2A (0.38) KMT2ASLC6A3SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9174286 0.68 KDM4E (0.32) KDM4E
SCHEMBL27863758 0.68 FBP1 (0.40) GAAHTTSMN1; SMN2ALDH1A1NPC1
SCHEMBL27458698 0.67 SLC6A2 (0.41) KMT2AHTTSLC6A2SLC6A4SLC6A3
SCHEMBL24002249 0.67 THRB (0.38) KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL8497699 0.67 MAPT (0.36) KMT2APKMGAAHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 EP disclosed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US disclosed
EP-2426130-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-03-07 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-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME PNP, TYMP, DPYD KMT2A 2979/4885PKM 2343/4885GAA 1224/4885

“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.