SCHEMBL4178945

SCHEMBL4178945

Cc1nc(C2CNCCN2)c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
ACVR1B P36896 1/20 0.41
TGFBR1 P36897 1/20 0.41
TGFBR2 P37173 1/20 0.41
SSTR4 P31391 2/20 0.39
SSTR1 P30872 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NCF1 P14598 3/20 0.36
ADRB1 P08588 2/20 0.36
ADRB2 P07550 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NUDT1 P36639 1/20 0.35

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
SCHEMBL4177876 0.74 TDP1 (0.41) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL1772609 0.72 L3MBTL1 (0.53) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL27969897 0.71 BMPR1B (0.37) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL10920080 0.70 ALDH1A1 (0.50) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL8469607 0.69 KDM4E (0.41) ALDH1A1CYP1A2HPGDPARP1
SCHEMBL18943805 0.68 TDP1 (0.65) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL2978037 0.68 KDM4E (0.42) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL9274343 0.68 SSTR4 (0.36) SSTR4LMNAPARP1
SCHEMBL451612 0.67 SLC18A3 (0.43) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL1638075 0.67 SLC18A3 (0.43) BMPR1BPDGFRBKDRACVR1BTGFBR1

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 BMPR1B 1762/4885PDGFRB 2227/4885KDR 4648/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX BMPR1B 2505/4885PDGFRB 2940/4885KDR 4672/4885

“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.