SCHEMBL1917467

SCHEMBL1917467

CCCc1nc2c(C(=O)OC)cccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.62
PKN1 Q16512 1/20 0.56
PKN2 Q16513 1/20 0.56
PARP1 P09874 8/20 0.47
CHEK1 O14757 1/20 0.44
CRBN Q96SW2 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
PLA2G2A P14555 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 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
SCHEMBL9125563 0.92 RIPK1 (0.67) RIPK1PKN1PKN2PARP1CHEK1
SCHEMBL7478397 0.86 PKN1 (0.59) RIPK1PKN1PKN2PARP1CHEK1
SCHEMBL6841804 0.85 PKN1 (0.57) RIPK1PKN1PKN2PARP1CHEK1
SCHEMBL12730392 0.85 PKN1 (0.57) RIPK1PKN1PKN2PARP1CHEK1
SCHEMBL15767242 0.85 PKN1 (0.57) RIPK1PKN1PKN2
SCHEMBL2845527 0.85 RIPK1 (0.58) RIPK1PKN1PKN2PARP1CHEK1
SCHEMBL9224298 0.85 KDM4E (0.54) RIPK1PARP1CHEK1KDM4E
SCHEMBL939723 0.84 RIPK1 (0.59) RIPK1PKN1PKN2PARP1CHEK1
SCHEMBL12385320 0.83 PARP1 (0.62) PKN1PKN2PARP1
SCHEMBL15808826 0.82 CHEK1 (0.68) RIPK1PKN1PKN2PARP1CHEK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081213-B1 TRICYCLIC COMPOUND KYOWA KIRIN CO LTD (JP) 2020-04-01 EP disclosed
EP-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 EP disclosed
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 US disclosed
EP-3081213-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2016-10-19 EP disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 US disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US disclosed
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-12 US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 EP disclosed
US-20130267711-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2013-10-10 US disclosed
US-8486980-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-07-16 US disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 US disclosed
EP-2327690-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 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 (4 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-20150291587-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD RIPK1 2778/4885PKN1 4277/4885PKN2 4583/4885
US-20130267711-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD RIPK1 2778/4885PKN1 4277/4885PKN2 4583/4885
US-20110201640-A1 TRICYCLIC COMPOUND PPARG, PPARA, PPARD RIPK1 3016/4885PKN1 4500/4885PKN2 4539/4885
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD RIPK1 2973/4885PKN1 4097/4885PKN2 3685/4885

“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.