SCHEMBL2285490

SCHEMBL2285490

Cn1nc(-c2cccc(I)c2)oc1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.54
IL2 P60568 4/20 0.43
APP P05067 1/20 0.41
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNF P01375 1/20 0.37
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
METAP2 P50579 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
GALR1 P47211 1/20 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
SCHEMBL12377820 0.83 NOTUM (0.55) NOTUMIL2KDM4EHPGDSMN1; SMN2
SCHEMBL17206755 0.81 NOTUM (0.54) NOTUMIL2KDM4EKMT2ASMN1; SMN2
SCHEMBL2293084 0.81 NOTUM (0.54) NOTUMIL2KDM4EHPGDKMT2A
SCHEMBL18121825 0.80 NOTUM (0.70) NOTUMIL2APPKDM4EHPGD
SCHEMBL14007387 0.80 NOTUM (0.69) NOTUMIL2KDM4EHPGDKMT2A
SCHEMBL2289458 0.77 NPC1 (0.56) NOTUMKDM4EKMT2ASMN1; SMN2
SCHEMBL20323164 0.71 NOTUM (0.72) NOTUMIL2KDM4EHPGDKMT2A
SCHEMBL15205682 0.71 NOTUM (0.65) NOTUMIL2KDM4EKMT2ASMN1; SMN2
SCHEMBL2731450 0.71 NOTUM (0.56) NOTUMIL2KDM4EHPGDKMT2A
SCHEMBL13337104 0.71 NOTUM (0.46) NOTUMIL2KDM4E

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 NOTUM 3182/4885IL2 2525/4885APP 2686/4885

“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.