SCHEMBL15440686

SCHEMBL15440686

CC(C)(C)OC(=O)N1Cc2nc(Cl)nc(NCc3ccccc3)c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
PDE5A O76074 1/20 0.41
APP P05067 1/20 0.41
CDK1 P06493 2/20 0.41
TLR9 Q9NR96 1/20 0.40
MTOR P42345 1/20 0.40
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
ACKR3 P25106 1/20 0.39
LMNA P02545 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
STS P08842 1/20 0.39
SLC2A1 P11166 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
P2RX3 P56373 1/20 0.37
PDE4A P27815 1/20 0.37

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
SCHEMBL15440464 0.91 ACHE (0.49) ACHEPDE5AAPPCDK1TLR9
SCHEMBL15440653 0.91 ACHE (0.49) ACHETLR9MTOROPRD1OPRK1
SCHEMBL20119846 0.84 MAPT (0.43) APPMTORLMNA
SCHEMBL16915795 0.84 ACHE (0.46) ACHEPDE5AAPPCDK1TLR9
SCHEMBL28654983 0.83 APP (0.46) ACHEPDE5AAPPCDK1PDE4A
SCHEMBL18303742 0.81 ESR2 (0.45) ACHEPDE5AMTOR
SCHEMBL31625153 0.81 USP1 (0.39) ACHEMTOR
SCHEMBL20119947 0.81 MTOR (0.36) ACHEMTORCACNA1GCACNA1HCACNA1I
SCHEMBL30915380 0.80 C5AR1 (0.42) ACHETLR9OPRD1OPRK1P2RX3
SCHEMBL30915382 0.80 C5AR1 (0.42) ACHETLR9OPRD1OPRK1P2RX3

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 4363/4885PDE5A 4699/4885APP 1788/4885
US-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 PSMG3, PSMD1, PSMD3 ACHE 3841/4885PDE5A 4120/4885APP 1810/4885
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 ACHE 4363/4885PDE5A 4699/4885APP 1788/4885
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex PSMG3, PSME1, PSMB1 ACHE 4363/4885PDE5A 4699/4885APP 1788/4885

“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.