SCHEMBL4177876

SCHEMBL4177876

Cc1cc2ccccc2nc1C1CNCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
PDE10A Q9Y233 1/20 0.40
BMPR1B O00238 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 1/20 0.37
TGFBR2 P37173 1/20 0.37
PTPRA P18433 1/20 0.36
MBNL1 Q9NR56 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 2/20 0.35
STAT3 P40763 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6396966 0.76 HTR2A (0.41) TDP1PDE10AALDH1A1GAARXFP1
SCHEMBL4178945 0.74 BMPR1B (0.41) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL28800404 0.74 KDM4E (0.39) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL9733257 0.73 CYP3A4 (0.41) TDP1ALDH1A1HPGDMAPTKDM4E
SCHEMBL6233506 0.71 BMPR1B (0.36) TDP1BMPR1BPDGFRBKDRACVR1B
SCHEMBL2771921 0.70 SLC6A2 (0.36) PARP1
Acridine SCHEMBL28183109 0.70 ALDH1A1 (0.48) TDP1PTPRAALDH1A1HPGDGLA
SCHEMBL20139214 0.68 HTR2C (0.50) TAAR1
SCHEMBL20139212 0.68 HTR2C (0.50) TAAR1
SCHEMBL30454496 0.68 HTR2C (0.50) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 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 (2 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-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX TDP1 728/4885PDE10A 271/4885BMPR1B 1762/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX TDP1 868/4885PDE10A 398/4885BMPR1B 2505/4885

“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.