SCHEMBL16806439

SCHEMBL16806439

CC(c1oc(=O)c2ccccc2c1C1=CCN(C(=O)C2CCN(C)CC2)CC1)n1nc(I)c2c(N)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.39
▸ BTK Q06187 2/20 0.38
▸ NAMPT P43490 8/20 0.35
▸ NUDT14 O95848 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PIK3C2B O00750 1/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ USP2 O75604 1/20 0.32
▸ MAPT P10636 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
Formic Acid SCHEMBL16783499 0.97 ATR (0.38) ATRBTKNAMPTNUDT14TSHR
SCHEMBL21337788 0.93 ATR (0.39) ATRBTKNAMPTNUDT14TSHR
SCHEMBL16783662 0.89 PIK3CD (0.35) EGFRJAK2JAK3PIK3C2BPIK3CD
SCHEMBL16783442 0.89 PIK3CD (0.35) EGFRJAK2JAK3PIK3CD
SCHEMBL16783505 0.88 ATR (0.38) ATRBTKEGFRPIK3CD
SCHEMBL16806425 0.87 PIK3CD (0.37) PIK3C2BPIK3CD
Hydrochloric Acid SCHEMBL16783635 0.86 PIK3CD (0.36) PIK3C2BPIK3CD
SCHEMBL16783887 0.86 PIK3CD (0.47) BTKEGFRPIK3CD
Formic Acid SCHEMBL16783586 0.85 PIK3CD (0.35) EGFRJAK2JAK3PIK3C2BPIK3CD
SCHEMBL16806438 0.85 KIT (0.36) BTKNAMPTEGFRJAK2JAK3

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 ATR 640/4885BTK 334/4885NAMPT 2295/4885

“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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