SCHEMBL98024

SCHEMBL98024

CNc1nc(SCc2ccc(OC)c(F)c2)nc2c1ncn2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
YTHDC1 Q96MU7 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
METAP2 P50579 1/20 0.40
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL97882 0.90 ALDH1A1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL98279 0.88 YTHDC1 (0.43) L3MBTL1YTHDC1SMN1; SMN2TDP1PDE4A
SCHEMBL98972 0.85 YTHDC1 (0.41) YTHDC1NPC1RAB9APDE4APDE4B
SCHEMBL99070 0.84 ALDH1A1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL98749 0.83 CCNE2 (0.54) ALDH1A1YTHDC1NPC1RAB9ATDP1
SCHEMBL100230 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL100590 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL96510 0.81 YTHDC1 (0.40) ALDH1A1YTHDC1PDE4APDE4BPDE4C
SCHEMBL98736 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL97697 0.78 CCNE2 (0.42) MEN1KMT2ACCNE2CCNE1CDK2

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 13 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 claimed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 EP claimed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US claimed
EP-2426130-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-03-07 EP claimed
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
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
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
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 US 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 ALDH1A1 336/4885L3MBTL1 4172/4885YTHDC1 736/4885

“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.