SCHEMBL2585006

SCHEMBL2585006

COc1cccc2c(NCc3ccccc3)nc(Cl)nc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.60
APP P05067 2/20 0.60
VCP P55072 9/20 0.60
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SLC2A1 P11166 1/20 0.51
EGFR P00533 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL1353218 0.87 SLC2A1 (0.63) APPVCPLMNACYP1A2CYP3A4
SCHEMBL9776753 0.85 VCP (0.65) APPVCPLMNACYP1A2CYP3A4
SCHEMBL31685010 0.84 VCP (0.48) PDE5AAPPVCPLMNACYP1A2
SCHEMBL9776841 0.84 SLC2A1 (0.50) VCPLMNACYP1A2CYP3A4CYP2D6
SCHEMBL12135962 0.84 PDE5A (0.53) PDE5AAPPLMNACYP1A2CYP3A4
SCHEMBL12134844 0.84 PDE5A (0.53) PDE5AAPPVCPLMNACYP1A2
SCHEMBL15421062 0.84 AURKA (0.65) VCPLMNACYP1A2CYP3A4CYP2D6
SCHEMBL27298761 0.83 USP2 (0.48) VCPLMNACYP1A2CYP3A4CYP2D6
SCHEMBL16181578 0.83 APP (0.65) PDE5AAPPLMNAMAPK1SMN1; SMN2
SCHEMBL16838082 0.82 VCP (0.58) VCPLMNACYP1A2CYP3A4CYP2D6

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023012153-A1 VALOSIN-CONTAINING PROTEIN (VCP/P97) INHIBITORS PHOREMOST LIMITED (GB) 2023-02-09 WO disclosed
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-07-03 US 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
WO-2016200840-A1 MONO AND BICYCLIC RING BORONIC ACID, ESTER AND SALT COMPOUNDS AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-12-15 WO 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-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 CLEAVE BIOSCIENCES, INC. (US) 2014-01-23 US disclosed
EP-2566480-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE California Institute of Technology (US) 2013-03-13 EP disclosed
US-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-11-24 US disclosed
US-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-11-24 US disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed
US-5064833-A Substituted quinazoline derivatives for use in gastrointestinal diseases SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) 1991-11-12 US disclosed
EP-0322133-B1 QUINAZOLINE DERIVATIVES SmithKline Beecham Intercredit B.V. (NL) 1991-05-22 EP disclosed
EP-0322133-A1 Quinazoline derivatives SmithKline Beecham Intercredit B.V. (NL) 1989-06-28 EP disclosed
WO-1989005297-A1 COMPOUNDS SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-06-15 WO 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 (5 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 PDE5A 4699/4885APP 1788/4885VCP 66/4885
US-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 PSMG3, PSMD1, PSMD3 PDE5A 4120/4885APP 1810/4885VCP 73/4885
US-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE VCP, PSMG3, PSMB3 PDE5A 4147/4885APP 1915/4885VCP 1/4885
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 PDE5A 4699/4885APP 1788/4885VCP 66/4885
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex PSMG3, PSME1, PSMB1 PDE5A 4699/4885APP 1788/4885VCP 66/4885

“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.