SCHEMBL17023282

SCHEMBL17023282

Cc1cc2c([N+](=O)[O-])cccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HTR6 P50406 3/20 0.45
HTR2A P28223 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
DCTPP1 Q9H773 1/20 0.45
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.42
BRD4 O60885 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL29811767 0.85 KMT2A (0.44) KMT2AMEN1HTR6HTR2AALDH1A1
SCHEMBL19252150 0.85 KMT2A (0.44) KMT2AMEN1HTR6HTR2AALDH1A1
SCHEMBL28952974 0.85 HTR6 (0.43) KMT2AMEN1HTR6HTR2AALDH1A1
SCHEMBL20762057 0.81 BRD4 (0.49) HTR6BRD4SRCPTGDRPTGDR2
SCHEMBL30958211 0.81 MEN1 (0.45) KMT2AMEN1HTR6HTR2AALDH1A1
SCHEMBL17422100 0.80 AGTR1 (0.41) KMT2AMEN1HTR6HTR2AALDH1A1
SCHEMBL15558579 0.77 BRD4 (0.46) HTR6BRD4PSEN1PSEN2APH1B
SCHEMBL597369 0.77 HTR6 (0.46) HTR6BRD4PSEN1PSEN2APH1B
SCHEMBL15558039 0.77 HTR6 (0.49) HTR6BRD4GAASRCPTGDR
SCHEMBL30644289 0.77 HTR6 (0.46) HTR6BRD4PSEN1PSEN2APH1B

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-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
CN-107459508-A Annelated pyrimidines as the inhibitor of P97 compounds 克里弗生物科学公司 2017-12-12 CN 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
EP-3208270-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX Cleave Biosciences, Inc. (US) 2017-08-23 EP disclosed
CN-104768946-B Fused pyrimidines as inhibitors of the p97 complex 克里弗生物科学公司 2017-05-03 CN 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
CN-104768946-A Fused pyrimidines as inhibitors of the p97 complex CLEAVE BIOSCIENCES INC 2015-07-08 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 (3 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 KMT2A 3080/4885MEN1 4188/4885HTR6 4171/4885
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 KMT2A 3080/4885MEN1 4188/4885HTR6 4171/4885
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex PSMG3, PSME1, PSMB1 KMT2A 3080/4885MEN1 4188/4885HTR6 4171/4885

“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.