SCHEMBL28455

SCHEMBL28455

CC(C)(C)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.67
L3MBTL1 Q9Y468 4/20 0.66
TDP1 Q9NUW8 1/20 0.59
RAB9A P51151 8/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TSHR P16473 3/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
BRD4 O60885 1/20 0.54
NPC1 O15118 4/20 0.54
MAPK1 P28482 2/20 0.54
GLA P06280 1/20 0.54
ALOX15 P16050 1/20 0.54
HTT P42858 1/20 0.54
KDR P35968 1/20 0.53
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL26624291 0.82 PTK2 (0.56) PTK2L3MBTL1TDP1RAB9ASMN1; SMN2
SCHEMBL1721767 0.81 RAB9A (0.68) L3MBTL1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL15201632 0.81 DEGS1 (0.60) L3MBTL1RAB9ANPC1KDR
SCHEMBL1431137 0.80 PTK2 (1.00) PTK2L3MBTL1TDP1RAB9ASMN1; SMN2
SCHEMBL24654650 0.80 L3MBTL1 (0.78) PTK2L3MBTL1TDP1RAB9ASMN1; SMN2
SCHEMBL2033431 0.79 RAB9A (0.55) RAB9ASMN1; SMN2TSHRTP53NPC1
SCHEMBL126671 0.79 ABL1 (0.51) L3MBTL1RAB9ASMN1; SMN2TP53NPC1
SCHEMBL1989892 0.79 KDR (0.47) PTK2L3MBTL1RAB9ASMN1; SMN2TP53
SCHEMBL1163357 0.79 PTGS1 (0.54) PTK2L3MBTL1RAB9ASMN1; SMN2TP53
SCHEMBL30000326 0.79 ABL1 (0.51) L3MBTL1RAB9ASMN1; SMN2TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968360-B1 QUINOLINONE DERIVATIVES FOR THE INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS CONVERGENE LLC (US) 2021-01-20 EP disclosed
US-10717739-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2020-07-21 US disclosed
US-20190345162-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins CONVERGENE LLC 2019-11-14 US disclosed
US-10266536-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2019-04-23 US disclosed
US-20180134715-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins CONVERGENE LLC 2018-05-17 US disclosed
US-9695179-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2017-07-04 US disclosed
EP-2373657-B1 5,7-DIHYDRO-6H-PYRIMIDO[5,4-D][1]BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARM INC (US) 2016-09-14 EP disclosed
EP-2373657-B1 5,7-DIHYDRO-6H-PYRIMIDO[5,4-D][1]BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARM INC (US) 2016-09-14 EP disclosed
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMECEUTICALS INC (US) 2016-03-10 US disclosed
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMECEUTICALS INC (US) 2016-03-10 US disclosed
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. 2004-02-26 US disclosed
US-20040002498-A1 Tricyclic compounds useful as HIV reverse transcriptase inhibitors JOHNSON BARRY L (US) 2004-01-01 US disclosed
WO-2003099773-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed
US-6593337-B1 pharmaceutical compositions and diagnostic kits comprising the same, and methods of using the same for treating viral infection or as an assay standard or reagent. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-15 US disclosed
EP-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP disclosed
US-6492390-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS. G.D. SEARLE & CO. 2002-12-10 US disclosed
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-01-24 US disclosed
US-6271253-B1 CYCLOOXYGENASE INHIBITORS G.D. SEARLE & CO. 2001-08-07 US disclosed
US-6077850-A USEFUL FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 2000-06-20 US disclosed
US-6034256-A CYCLOOXYGEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-03-07 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 (8 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-10717739-B2 Methods and compositions for inhibition of bromodomain-containing proteins BRPF3, BRD3, BRDT PTK2 2954/4885L3MBTL1 2457/4885TDP1 1357/4885
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation PTGS1, IL1R1, PTGES2 PTK2 2816/4885L3MBTL1 2494/4885TDP1 1536/4885
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation PTGS1, PTGES2, IL1R1 PTK2 2137/4885L3MBTL1 1793/4885TDP1 2124/4885
US-20190345162-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins BRPF3, BRD3, BRDT PTK2 2954/4885L3MBTL1 2457/4885TDP1 1357/4885
US-10266536-B2 Methods and compositions for inhibition of bromodomain-containing proteins BRPF3, BRD3, BRDT PTK2 2954/4885L3MBTL1 2457/4885TDP1 1357/4885
US-20180134715-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins BRPF3, BRD3, BRDT PTK2 2954/4885L3MBTL1 2457/4885TDP1 1357/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 PTK2 690/4885L3MBTL1 3577/4885TDP1 3267/4885
US-20040002498-A1 Tricyclic compounds useful as HIV reverse transcriptase inhibitors POLRMT, TYMP, POLM PTK2 4854/4885L3MBTL1 2828/4885TDP1 161/4885

“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.