SCHEMBL2295142

SCHEMBL2295142

Cc1nnc(-c2cccc(I)c2)n1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
HSD11B1 P28845 7/20 0.39
METAP2 P50579 1/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
ALDH1A1 P00352 1/20 0.36
APP P05067 1/20 0.35
AVPR1A P37288 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
SCHEMBL12377819 0.83 LMNA (0.53) LMNAHSD11B1ALDH1A1
SCHEMBL8763630 0.79 HSD11B1 (0.50) LMNAHSD11B1ALDH1A1
SCHEMBL15413377 0.77 AVPR1A (0.66) ALDH1A1AVPR1A
SCHEMBL889637 0.77 HSD11B1 (0.56) HSD11B1AVPR1A
SCHEMBL14077010 0.75 ALOX12 (0.57) LMNA
SCHEMBL14077013 0.75 KDM4E (0.55) HSD11B1ALDH1A1
SCHEMBL15026023 0.74 HSD11B1 (0.36) HSD11B1ALDH1A1AVPR1A
SCHEMBL14804396 0.74 ALDH1A1 (0.47) HSD11B1ALDH1A1AVPR1A
SCHEMBL22728144 0.72 ALDH1A1 (0.40) LMNAHSD11B1ALDH1A1
SCHEMBL14077046 0.71 HSD11B1 (0.58) LMNAHSD11B1ALDH1A1

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 LMNA 2244/4885HSD11B1 307/4885METAP2 3328/4885

“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.