SCHEMBL4052252

SCHEMBL4052252

CCCc1nc2nccnc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
CCNB2 O95067 3/20 0.36
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
GSK3A P49840 3/20 0.36
GSK3B P49841 3/20 0.36
CCNB3 Q8WWL7 3/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
GLA P06280 1/20 0.34
PDK2 Q15119 3/20 0.33

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
SCHEMBL4051241 0.89 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBCCNB2
SCHEMBL4046923 0.87 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBCCNB2
SCHEMBL4046994 0.84 ADORA1 (0.42) ADORA3ADORA2AADORA1METAP2METAP1
SCHEMBL4042151 0.80 AAK1 (0.40) METAP2METAP1PDE3BPDE3ANOS1
SCHEMBL4047518 0.80 METAP2 (0.33) METAP2METAP1PI4KAPI4K2BPI4K2A
SCHEMBL4053122 0.78 GPR84 (0.47) METAP2METAP1PI4KAPI4K2BPI4K2A
SCHEMBL4052403 0.77 METAP2 (0.36) METAP2METAP1EGLN1
SCHEMBL4047123 0.77 METAP2 (0.36) METAP2METAP1EGLN1
SCHEMBL4053441 0.76 ADORA3 (0.40) ADORA3ADORA2AADORA1METAP2METAP1
SCHEMBL4044137 0.75 PDE9A (0.38) METAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 EP disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US disclosed
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-12 US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 EP disclosed
US-20130131021-A1 ANALOGUES OF CILOSTAZOL CONCERT PHARMACEUTICALS INC. (US) 2013-05-23 US disclosed
WO-2009029592-A1 HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 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-20130131021-A1 ANALOGUES OF CILOSTAZOL PDE3A, PDE3B, PDE5A KDM4C 623/4885ADORA3 325/4885ADORA2A 795/4885
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD KDM4C 2374/4885ADORA3 733/4885ADORA2A 781/4885

“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.