SCHEMBL16806429

SCHEMBL16806429

CC(c1oc(=O)c2ccccc2c1-c1ccc(CN2CCCCC2)s1)n1nc(I)c2c(N)ncnc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 13/20 0.36
▸ PIK3CG P48736 6/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ PIK3CB P42338 5/20 0.32
▸ PIK3CA P42336 3/20 0.32
▸ SRC P12931 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ NEK2 P51955 1/20 0.32
▸ IKBKE Q14164 2/20 0.32
▸ TBK1 Q9UHD2 2/20 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
Hydrochloric Acid SCHEMBL16783802 0.99 PIK3CD (0.36) PIK3CDPIK3CGPIK3R1CSNK1EALDH1A1
SCHEMBL16806427 0.93 KDM5B (0.37) PIK3CDPIK3CGPIK3R1CSNK1EPIK3CB
Hydrochloric Acid SCHEMBL16783592 0.93 KDM5B (0.36) PIK3CDPIK3CGPIK3R1CSNK1EPIK3CB
SCHEMBL21337718 0.92 PIK3CD (0.42) PIK3CDPIK3CGPIK3R1CSNK1EALDH1A1
SCHEMBL16783570 0.84 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CASRC
Hydrochloric Acid SCHEMBL16783821 0.84 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CASRC
SCHEMBL16783531 0.83 PIK3CD (0.53) PIK3CDPIK3CGPIK3CBPIK3CASRC
Hydrochloric Acid SCHEMBL16783569 0.83 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CASRC
SCHEMBL16783896 0.81 PIK3CD (0.35) PIK3CDPIK3CGPIK3R1CSNK1EPIK3CB
SCHEMBL16783832 0.80 PIK3CD (0.40) PIK3CDPIK3CGPIK3R1CSNK1EPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083617-B1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-09-11 — — EP disclosed
EP-3083617-A1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2016-10-26 — — EP disclosed
US-9321776-B2 Isochromene derivatives as phoshoinositide 3-kinases inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-04-26 — — US disclosed
US-9321776-B2 Isochromene derivatives as phoshoinositide 3-kinases inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-04-26 — — US disclosed
WO-2015091685-A1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-25 — — WO disclosed
WO-2015091685-A1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-25 — — WO disclosed
US-20150166549-A1 ISOCHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-18 — — US disclosed
US-20150166549-A1 ISOCHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-18 — — 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 (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-20150166549-A1 ISOCHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS PIKFYVE, IP6K2, IP6K3 PIK3CD 15/4885PIK3CG 23/4885PIK3R1 28/4885

“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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