SCHEMBL2284800

SCHEMBL2284800

COCc1nnc(-c2cccc(I)c2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.48
▸ TP53 P04637 3/20 0.48
▸ APP P05067 1/20 0.48
▸ MAPT P10636 4/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ LMNA P02545 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NOTUM Q6P988 4/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL2288774 0.83 APP (0.51) POLBTP53APPSMN1; SMN2RAB9A
SCHEMBL19553547 0.80 ALDH1A1 (0.65) POLBTP53APPMAPTSMN1; SMN2
SCHEMBL30566766 0.80 ALDH1A1 (0.65) POLBTP53APPMAPTSMN1; SMN2
SCHEMBL19554429 0.80 NOTUM (0.65) POLBTP53APPSMN1; SMN2RAB9A
SCHEMBL22360380 0.77 POLB (0.39) POLBTP53APPMAPTSMN1; SMN2
SCHEMBL2719470 0.76 KDM4E (0.66) TP53APPMAPTSMN1; SMN2RAB9A
SCHEMBL753110 0.74 APP (0.55) POLBTP53APPMAPTSMN1; SMN2
SCHEMBL2090020 0.73 NPC1 (0.57) POLBTP53MAPTSMN1; SMN2RAB9A
SCHEMBL29133064 0.72 NOTUM (0.43) POLBTP53MAPTSMN1; SMN2RAB9A
SCHEMBL2090476 0.72 KMT2A (0.57) POLBTP53MAPTSMN1; SMN2RAB9A

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 5 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
CN-101679447-A pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO LTD 2010-03-24 — — CN 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 POLB 1331/4885TP53 4710/4885APP 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.

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