SCHEMBL4175589

SCHEMBL4175589

Cc1ncc2c(N3CCNC(C)C3)cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 2/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
HTR1A P08908 4/20 0.41
HTR1D P28221 4/20 0.41
HTR1B P28222 4/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
SLC6A4 P31645 1/20 0.41
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
KHK P50053 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
NCF1 P14598 5/20 0.40
ADRB1 P08588 2/20 0.40
ADRB2 P07550 2/20 0.40
PRKCQ Q04759 3/20 0.40
PRKCD Q05655 1/20 0.40

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
SCHEMBL430546 0.84 NCF1 (0.56) HTR1AHTR1DHTR1BSLC6A4NCF1
SCHEMBL2881010 0.82 CYP2C9 (0.50) HTR1AHTR1DHTR1BSLC6A4KHK
SCHEMBL429083 0.82 CYP2C9 (0.50) HTR1AHTR1DHTR1BSLC6A4KHK
SCHEMBL4180251 0.82 CYP2C9 (0.50) HTR1AHTR1DHTR1BSLC6A4KHK
SCHEMBL4181655 0.80 NCF1 (0.60) PIM2PIM1PIM3HTR1AHTR1D
SCHEMBL4244446 0.76 HTR6 (0.61) HTR1AHTR1DHTR1BKHKADRA2A
SCHEMBL4247868 0.76 HTR6 (0.61) HTR1AHTR1DHTR1BKHKADRA2A
SCHEMBL4244450 0.76 HTR6 (0.61) HTR1AHTR1DHTR1BKHKADRA2A
SCHEMBL14146963 0.74 PRKCQ (0.59) PIM2PIM1HTR1AHTR1DHTR1B
SCHEMBL4247455 0.74 MKNK1 (0.39) PIM2PIM1PIM3MKNK1MKNK2

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 PIM2 4693/4885PIM1 4639/4885PIM3 4638/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX PIM2 3973/4885PIM1 4113/4885PIM3 3945/4885

“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.