SCHEMBL2292019

SCHEMBL2292019

CNC(=O)c1cccc(N2C[C@@H]3CCCN3c3nc(SC)ncc3C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 15/20 0.51
CACNA2D2 Q9NY47 1/20 0.51
SLC6A2 P23975 10/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3CD O00329 1/20 0.38
KDR P35968 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 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
SCHEMBL2292026 1.00 CACNA2D1 (0.51) CACNA2D1CACNA2D2SLC6A2MEN1KMT2A
SCHEMBL2288791 0.93 CACNA2D1 (0.52) CACNA2D1CACNA2D2SLC6A2KDR
SCHEMBL2288797 0.93 CACNA2D1 (0.52) CACNA2D1CACNA2D2SLC6A2KDR
SCHEMBL2289702 0.91 CACNA2D1 (0.51) CACNA2D1CACNA2D2SLC6A2MEN1KMT2A
SCHEMBL2289695 0.91 CACNA2D1 (0.51) CACNA2D1CACNA2D2SLC6A2MEN1KMT2A
SCHEMBL2288520 0.88 CACNA2D1 (0.47) CACNA2D1CACNA2D2SLC6A2KDR
SCHEMBL2288513 0.88 CACNA2D1 (0.47) CACNA2D1CACNA2D2SLC6A2KDR
SCHEMBL2288995 0.86 CACNA2D1 (0.52) CACNA2D1CACNA2D2SLC6A2MEN1KMT2A
SCHEMBL2288362 0.86 CACNA2D1 (0.52) CACNA2D1CACNA2D2SLC6A2MEN1KMT2A
SCHEMBL2289725 0.86 CACNA2D1 (0.48) CACNA2D1CACNA2D2SLC6A2

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
EP-2163554-B1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2012-08-01 EP disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
EP-2163554-A1 PYRIMIDODIAZEPINONE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2010-03-17 EP 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-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D CACNA2D1 624/4885CACNA2D2 794/4885SLC6A2 181/4885

“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.