SCHEMBL2290878

SCHEMBL2290878

N#Cc1ccc(CBr)c(Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.33
NQO1 P15559 1/20 0.32
CTSB P07858 2/20 0.30

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
SCHEMBL27796512 0.85 SOS2 (0.32) SOS2NQO1
SCHEMBL12377890 0.81 ALDH1A1 (0.35) SOS2NQO1
SCHEMBL5099769 0.78 SOS2 (0.34) SOS2NQO1CTSB
SCHEMBL836627 0.78 SOS2 (0.34) SOS2NQO1CTSB
SCHEMBL11916709 0.74 SOS2 (0.36) SOS2NQO1
SCHEMBL844505 0.73 KMT2A (0.31)
SCHEMBL7846050 0.73 SOS2 (0.38) SOS2NQO1
SCHEMBL25268051 0.69 KHK (0.36) SOS2NQO1
SCHEMBL16372364 0.69 SOS2 (0.48) SOS2NQO1CTSB
SCHEMBL2291603 0.69 ALDH1A1 (0.44) SOS2NQO1

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 SOS2 2403/4885NQO1 959/4885CTSB 3120/4885

“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.