SCHEMBL1647241

SCHEMBL1647241

NC(=O)c1ccccc1-c1ccnnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.61
CSNK1A1 P48729 1/20 0.49
TYRO3 Q06418 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
GRM5 P41594 1/20 0.44
NUDT1 P36639 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHEK1 O14757 1/20 0.42
IKBKB O14920 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
SCHEMBL30482280 0.84 BCAT2 (0.63) BCAT2CSNK1A1TYRO3DYRK1BKEAP1
SCHEMBL164881 0.81 BCAT2 (0.71) BCAT2CSNK1A1TYRO3DYRK1BNPC1
Hydrochloric Acid SCHEMBL9027847 0.80 BCAT2 (0.69) BCAT2CSNK1A1TYRO3DYRK1BNPC1
Hydrochloric Acid SCHEMBL29710331 0.80 BCAT2 (0.69) BCAT2CSNK1A1TYRO3DYRK1BNPC1
Hydrochloric Acid SCHEMBL4597839 0.80 BCAT2 (0.69) BCAT2CSNK1A1TYRO3DYRK1BNPC1
SCHEMBL21630020 0.80 CCNC (0.41) BCAT2CSNK1A1TYRO3DYRK1BKEAP1
SCHEMBL167082 0.79 BCAT2 (0.67) BCAT2PARP1SIRT1
SCHEMBL31227976 0.79 BCAT2 (0.67) BCAT2PARP1SIRT1
SCHEMBL30514275 0.79 BCAT2 (0.67) BCAT2PARP1SIRT1
SCHEMBL6448102 0.79 BCAT2 (0.67) BCAT2CSNK1A1TYRO3DYRK1BALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015193229-A1 BET-PROTEIN INHIBITING 1,4-DIHYDROPYRIDO[3,4-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO claimed
CN-101472902-A Novel piperazine compounds and their use as HCV polymerase inhibitors JAPAN TOBACCO INC (JP) 2009-07-01 CN claimed
CN-109863140-A 3- oxo -2,6- diphenyl -2,3- dihydrogen dazin -4- formamide 拜耳医药股份有限公司 2019-06-07 CN disclosed
CN-109863140-A 3- oxo -2,6- diphenyl -2,3- dihydrogen dazin -4- formamide 拜耳医药股份有限公司 2019-06-07 CN disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
CN-101472902-A Novel piperazine compounds and their use as HCV polymerase inhibitors JAPAN TOBACCO INC (JP) 2009-07-01 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 (1 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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 BCAT2 2499/4885CSNK1A1 1935/4885TYRO3 1729/4885

“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.