SCHEMBL16806437

SCHEMBL16806437

CC(c1oc(=O)c2ccccc2c1C1=CCN(C(=O)CCCN(C)C)CC1)n1nc(I)c2c(N)ncnc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 7/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ERBB2 P04626 2/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PIK3CG P48736 2/20 0.30
▸ PIK3R1 P27986 1/20 0.30
▸ CSNK1E P49674 1/20 0.30
▸ NAMPT P43490 1/20 0.30

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
Formic Acid SCHEMBL16783893 0.97 PIK3CD (0.31) PIK3CDKDM4EALDH1A1HSD17B10USP2
SCHEMBL21337663 0.93 PIK3CD (0.34) PIK3CDTLR9TLR8TLR7PIK3CG
SCHEMBL16806438 0.92 KIT (0.36) PIK3CDKDM4EALDH1A1HSD17B10ERBB2
Formic Acid SCHEMBL16783606 0.90 KIT (0.35) PIK3CDKDM4EALDH1A1HSD17B10ERBB2
SCHEMBL16783662 0.88 PIK3CD (0.35) PIK3CDPIK3CGPIK3R1CSNK1EEGFR
SCHEMBL16783442 0.88 PIK3CD (0.35) PIK3CDPIK3CGPIK3R1CSNK1EEGFR
SCHEMBL16783634 0.87 PIK3CD (0.47) PIK3CDPIK3CGEGFRPIK3CB
SCHEMBL21337666 0.85 PIK3CD (0.36) PIK3CDTSHRHTTMAPTNPSR1
Formic Acid SCHEMBL16783526 0.85 PIK3CD (0.45) PIK3CDPIK3CGEGFRPIK3CB
SCHEMBL16783545 0.85 LNPEP (0.39) PIK3CDALDH1A1TSHRPIK3CGPIK3R1

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 6 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
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
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 15/4885KDM4E 1853/4885ALDH1A1 4808/4885

“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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