SCHEMBL17218754

SCHEMBL17218754

[N-]=[N+]=NC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
PLA2G7 Q13093 1/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 1/20 0.38
KCNQ3 O43525 4/20 0.36
KCNQ2 O43526 4/20 0.36
KCNQ5 Q9NR82 1/20 0.36
CYP11B1 P15538 1/20 0.36

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
SCHEMBL17219429 0.80 S1PR3 (0.44) CES2CES1KCNQ3KCNQ2CYP11B1
SCHEMBL28766354 0.80 GABRA1 (0.35) CES2CES1RAB9AMEN1KMT2A
SCHEMBL28827436 0.79 CES2 (0.48) CES2CES1RAB9AMEN1KMT2A
SCHEMBL29200432 0.76 CES2 (0.55) CES2CES1PLA2G7RAB9AMEN1
SCHEMBL28396264 0.76 L3MBTL1 (0.41) CES2CES1MEN1KMT2A
SCHEMBL18762041 0.75 GABRA1 (0.32)
SCHEMBL22778005 0.75 PLG (0.37) MEN1KMT2ANPC1
SCHEMBL28456387 0.75 CES2 (0.48) CES2CES1RAB9ANPC1
SCHEMBL28478142 0.73 CES2 (0.55) CES2CES1RAB9AMEN1KMT2A
SCHEMBL17219570 0.73 CES2 (0.55) CES2CES1RAB9ATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380346-A1 2,3-DIHYDRO-ISOINDOLE-1-ON DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME CRYSTALGENOMICS, INC. (KR) 2022-12-01 US disclosed
EP-3428161-B1 2,3-DIHYDRO-ISOINDOLE-1-ONE DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME CRYSTALGENOMICS INC (KR) 2022-09-07 EP disclosed
US-11230539-B2 2,3-dihydro-isoindole-1-one derivative as BTK kinase suppressant, and pharmaceutical composition including same CRYSTALGENOMICS, INC. (KR) 2022-01-25 US disclosed
US-20210009565-A1 2,3-DIHYDRO-ISOINDOLE-1-ONE DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME CRYSTALGENOMICS, INC. (KR) 2021-01-14 US disclosed
EP-3428161-A1 2,3-DIHYDRO-ISOINDOLE-1-ON DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Crystalgenomics, Inc. (KR) 2019-01-16 EP disclosed
EP-2940014-B1 2,3-DIHYDRO-ISOINDOLE-1-ON DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME CRYSTALGENOMICS INC (KR) 2018-09-26 EP disclosed
US-9758508-B2 2,3-dihydro-isoindole-1-on derivative as BTK kinase suppressant, and pharmaceutical composition including same CRYSTALGENOMICS, INC. (KR) 2017-09-12 US disclosed
US-20150336934-A1 2,3-DIHYDRO-ISOINDOLE-1-ON DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME CRYSTALGENOMICS, INC. (KR) 2015-11-26 US disclosed
EP-2940014-A1 2,3-DIHYDRO-ISOINDOLE-1-ON DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Crystalgenomics, Inc. (KR) 2015-11-04 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-11230539-B2 2,3-dihydro-isoindole-1-one derivative as BTK kinase suppressant, and pharmaceutical composition including same BTK, BRSK2, LCK CES2 3908/4885CES1 1286/4885PLA2G7 1224/4885
US-20210009565-A1 2,3-DIHYDRO-ISOINDOLE-1-ONE DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME BTK, BRSK2, LCK CES2 3908/4885CES1 1286/4885PLA2G7 1224/4885
US-20150336934-A1 2,3-DIHYDRO-ISOINDOLE-1-ON DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME BTK, LCK, BRSK2 CES2 3546/4885CES1 1366/4885PLA2G7 833/4885
US-20220380346-A1 2,3-DIHYDRO-ISOINDOLE-1-ON DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME BTK, LCK, BRSK2 CES2 3546/4885CES1 1366/4885PLA2G7 833/4885

“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.