SCHEMBL15440490

SCHEMBL15440490

Clc1nc(NCc2ccccc2)c2ccsc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.62
APP P05067 2/20 0.62
ESR1 P03372 5/20 0.57
VCP P55072 1/20 0.55
USP1 O94782 1/20 0.51
WDR48 Q8TAF3 1/20 0.51
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GBA1 P04062 1/20 0.47
RAD52 P43351 1/20 0.47
CDK1 P06493 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46
UBE2N P61088 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL31045263 0.84 APP (0.54) PDE5AAPPESR1VCPHTT
SCHEMBL27655477 0.82 TNF (0.44) PDE5AAPPESR1VCPUSP1
SCHEMBL5129285 0.79 APP (0.61) PDE5AAPPESR1LMNAKDM4E
SCHEMBL17926579 0.79 SMN1; SMN2 (0.52) PDE5ALMNAHTTKDM4EALDH1A1
SCHEMBL9432534 0.78 PDE4B (0.49) PDE5AKDM4EALDH1A1MAPTKMT2A
SCHEMBL27403244 0.77 TNF (0.68) PDE5AAPPLMNAHTTKMT2A
SCHEMBL29388255 0.77 APP (1.00) PDE5AAPPLMNAHTTKDM4E
SCHEMBL3113122 0.77 APP (1.00) PDE5AAPPLMNAHTTKDM4E
SCHEMBL21567217 0.77 PDE4A (0.69) PDE5AAPPESR1PDE4APDE4B
SCHEMBL7013493 0.77 APP (0.58) PDE5AAPPESR1RAD52CDK1

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 15 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
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 CN 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 PDE5A 4699/4885APP 1788/4885ESR1 2667/4885
US-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 PSMG3, PSMD1, PSMD3 PDE5A 4120/4885APP 1810/4885ESR1 3480/4885
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 PDE5A 4699/4885APP 1788/4885ESR1 2667/4885
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex PSMG3, PSME1, PSMB1 PDE5A 4699/4885APP 1788/4885ESR1 2667/4885

“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.