SCHEMBL15519307

SCHEMBL15519307

O=C(O)n1cc(I)c2c(=O)[nH]cnc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.40
MAPT P10636 6/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
BCAT2 O15382 1/20 0.36
HPRT1 P00492 3/20 0.35
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 2/20 0.34
DYRK1A Q13627 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL21246931 0.86 SRC (0.37) SRCMAPTLMNAGAAHTT
SCHEMBL15520479 0.80 MAPT (0.33) SRCMAPTLMNAGAAHTT
SCHEMBL21246839 0.78 KDM4E (0.39) SRCMAPTLMNAGAAHTT
SCHEMBL15265574 0.76 ALDH1A1 (0.44) SRCMAPTLMNAGAAHTT
SCHEMBL20898582 0.73 SRC (0.70) SRCMAPTLMNAGAAHTT
SCHEMBL21246829 0.71 SMN1; SMN2 (0.39) SRCMAPTLMNAGAAHTT
SCHEMBL22086072 0.69 SRC (0.53) SRCMAPTLMNAGAAHTT
SCHEMBL25065700 0.68 ABL1 (0.39) SRCGAAHTTKMT2AALDH1A1
SCHEMBL20912362 0.68 MAPT (0.50) SRCMAPTLMNAGAAHTT
SCHEMBL22086527 0.68 ABL1 (0.39) SRCGAAHTTKMT2AALDH1A1

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-2708540-B1 PYRIMIDO-DIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-07-25 EP disclosed
US-9453021-B2 Pyrimidodiazepinone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-09-27 US disclosed
US-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-19 US disclosed
EP-2708540-A1 PYRIMIDO-DIAZEPINONE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2014-03-19 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-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND REN, AGTR1, KCNJ1 SRC 3607/4885MAPT 4569/4885LMNA 3557/4885

“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.