SCHEMBL15440464

SCHEMBL15440464

CC(C)(C)OC(=O)N1CCc2c(nc(Cl)nc2NCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
PARP1 P09874 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
P2RX3 P56373 1/20 0.45
PRKCI P41743 2/20 0.43
MTOR P42345 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MKNK1 Q9BUB5 2/20 0.40
TLR9 Q9NR96 1/20 0.40
ESR2 Q92731 1/20 0.40
ACKR3 P25106 1/20 0.40
LMNA P02545 1/20 0.40
STS P08842 1/20 0.39
PDE5A O76074 1/20 0.39
APP P05067 1/20 0.39
CDK1 P06493 1/20 0.39
SLC2A1 P11166 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
SCHEMBL15440653 0.92 ACHE (0.49) ACHEP2RX3PRKCIMTORHDAC1
SCHEMBL15440686 0.91 ACHE (0.49) ACHEP2RX3MTORTLR9ACKR3
SCHEMBL18303742 0.83 ESR2 (0.45) ACHEMTORHDAC1HDAC6MKNK1
SCHEMBL31138446 0.82 MTOR (0.39) ACHEPARP1TNKS2PARP2P2RX3
SCHEMBL25324925 0.82 P2RX3 (0.47) ACHEPARP1TNKS2PARP2P2RX3
SCHEMBL31246476 0.81 PARP1 (0.47) PARP1TNKS2PARP2PRKCIMTOR
SCHEMBL25574315 0.81 PARP1 (0.47) PARP1TNKS2PARP2PRKCIMTOR
SCHEMBL15421215 0.81 VCP (0.63)
SCHEMBL15440470 0.80 ACHE (0.44) ACHEP2RX3HDAC1HDAC6TLR9
SCHEMBL21758756 0.80 PARP1 (0.49) PARP1TNKS2PARP2PRKCIMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-07-03 US disclosed
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-07-03 US disclosed
EP-2875018-B1 FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX CLEAVE BIOSCIENCES INC (US) 2018-02-14 EP disclosed
US-20170258795-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE THERAPEUTICS, INC. 2017-09-14 US disclosed
US-20170258795-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE THERAPEUTICS, INC. 2017-09-14 US disclosed
EP-3208270-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX Cleave Biosciences, Inc. (US) 2017-08-23 EP disclosed
US-9475824-B2 Fused pyrimidines as inhibitors of p97 complex CLEAVE BIOSCIENCES, INC. (US) 2016-10-25 US disclosed
US-9475824-B2 Fused pyrimidines as inhibitors of p97 complex CLEAVE BIOSCIENCES, INC. (US) 2016-10-25 US disclosed
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE THERAPEUTICS, INC. 2015-08-27 US disclosed
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE THERAPEUTICS, INC. 2015-08-27 US disclosed
US-9062026-B2 Fused pyrimidines and substituted quinazolines as inhibitors of p97 CLEAVE BIOSCIENCES, INC. (US) 2015-06-23 US disclosed
US-9062026-B2 Fused pyrimidines and substituted quinazolines as inhibitors of p97 CLEAVE BIOSCIENCES, INC. (US) 2015-06-23 US disclosed
US-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 CLEAVE BIOSCIENCES, INC. (US) 2014-01-23 US disclosed
US-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 CLEAVE BIOSCIENCES, INC. (US) 2014-01-23 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 (4 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-20170258795-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 ACHE 4363/4885PARP1 1237/4885TNKS2 767/4885
US-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 PSMG3, PSMD1, PSMD3 ACHE 3841/4885PARP1 1272/4885TNKS2 588/4885
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 ACHE 4363/4885PARP1 1237/4885TNKS2 767/4885
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex PSMG3, PSME1, PSMB1 ACHE 4363/4885PARP1 1237/4885TNKS2 767/4885

“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.