SCHEMBL99387

SCHEMBL99387

COc1ccc(CSc2nc(NC3CC3)c3ncn(C)c3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.49
CDK2 P24941 4/20 0.49
CCNE2 O96020 3/20 0.49
ADORA1 P30542 4/20 0.43
ADORA3 P0DMS8 3/20 0.43
ADORA2A P29274 3/20 0.43
CCNA2 P20248 1/20 0.42
CCNA1 P78396 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDGFRA P16234 1/20 0.40
POLB P06746 1/20 0.39
CTSL P07711 1/20 0.38

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
SCHEMBL98749 0.86 CCNE2 (0.54) CCNE1CDK2CCNE2TDP1POLB
SCHEMBL99099 0.84 CCNE2 (0.57) CCNE1CDK2CCNE2TDP1POLB
SCHEMBL97846 0.82 CCNE2 (0.49) CCNE1CDK2CCNE2ADORA1ADORA3
SCHEMBL99854 0.81 CCNE2 (0.53) CCNE1CDK2CCNE2TDP1POLB
SCHEMBL97934 0.78 CCNE2 (0.46) CCNE1CDK2CCNE2NFKB1TDP1
SCHEMBL97584 0.78 CCNE2 (0.46) CCNE1CDK2CCNE2NFKB1TDP1
SCHEMBL99191 0.77 CCNE2 (0.43) CCNE1CDK2CCNE2NFKB1TDP1
SCHEMBL100715 0.77 CCNE2 (0.47) CCNE1CDK2CCNE2NFKB1TDP1
SCHEMBL98797 0.77 CCNE2 (0.45) CCNE1CDK2CCNE2CYP3A4NFKB1
SCHEMBL97733 0.76 CCNE2 (0.44) CCNE1CDK2CCNE2NFKB1TDP1

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 CCNE1 1574/4885CDK2 1086/4885CCNE2 3736/4885

“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.