SCHEMBL15767459

SCHEMBL15767459

COCc1nc2c(CO)cccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.43
▸ CHEK1 O14757 1/20 0.40
▸ RET P07949 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ PTGES O14684 5/20 0.38
▸ KDR P35968 2/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37

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
SCHEMBL15767180 0.79 CHEK1 (0.41) CHEK1PARP1HTR6
SCHEMBL1917800 0.79 PSMB8 (0.47) CACNA1HPTGES
SCHEMBL15767238 0.79 SMN1; SMN2 (0.52) CACNA1HPARP1NPC1RAB9ASMN1; SMN2
SCHEMBL7485025 0.79 CHEK1 (0.57) CACNA1HCHEK1PARP1NPC1RAB9A
SCHEMBL11019853 0.79 CNR2 (0.46) CACNA1HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15767395 0.78 CACNA1H (0.49) CACNA1HPTGES
SCHEMBL6681270 0.78 CHEK1 (0.45) CHEK1PARP1ALDH1A1HTR6
SCHEMBL23581718 0.77 PARP1 (0.61) PARP1
SCHEMBL15767242 0.77 PKN1 (0.57) PTGES
SCHEMBL8284000 0.76 RAD52 (0.46) PARP1HTR6

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-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 — — EP 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-20130131021-A1 ANALOGUES OF CILOSTAZOL CONCERT PHARMACEUTICALS INC. (US) 2013-05-23 — — US 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 (2 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-20130131021-A1 ANALOGUES OF CILOSTAZOL PDE3A, PDE3B, PDE5A CACNA1H 2080/4885CHEK1 2401/4885RET 3714/4885
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD CACNA1H 4271/4885CHEK1 4114/4885RET 498/4885

“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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