SCHEMBL335775

SCHEMBL335775

Nc1ncc(Br)c(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PIK3CA P42336 6/20 0.40
MTOR P42345 5/20 0.40
PIK3CB P42338 2/20 0.40
MBOAT4 Q96T53 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3C2B O00750 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CG P48736 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
GRM4 Q14833 1/20 0.39
CLK1 P49759 2/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
DHFR P00374 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL30107632 1.00 KDM4E (0.44) KDM4EPIK3CAMTORPIK3CBMBOAT4
SCHEMBL13674714 0.85 KDM4E (0.48) KDM4EPIK3CAMTORPIK3CBMBOAT4
SCHEMBL27537444 0.83 GRM4 (0.41) KDM4EGRM4FGFR1
SCHEMBL10196960 0.79 KDM4E (0.44) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL27282962 0.77 JUN (0.40) MBOAT4
SCHEMBL6936291 0.75 KDM4E (0.55) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL3186975 0.75 NFKB1 (0.43) MBOAT4
SCHEMBL31200389 0.75 MBOAT4 (0.40) KDM4EMBOAT4
SCHEMBL30519898 0.75 MBOAT4 (0.35) MBOAT4
SCHEMBL15271570 0.75 MBOAT4 (0.35) MBOAT4

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 122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-01-30 US disclosed
US-20230242494-A1 MALONITRILE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-08-03 US disclosed
US-20230242494-A1 MALONITRILE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-08-03 US disclosed
US-20230242494-A1 MALONITRILE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-08-03 US disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
EP-4153577-A1 NEW MALONITRILE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-03-29 EP disclosed
CN-115551837-A Novel malononitrile derivatives 豪夫迈·罗氏有限公司 2022-12-30 CN disclosed
EP-3475285-B1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2022-02-09 EP disclosed
US-11242346-B2 Mechanistic target of rapamycin signaling pathway inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2022-02-08 US disclosed
WO-2021233854-A1 NEW MALONITRILE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-11-25 WO disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2118087-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-11-18 EP disclosed
CN-101389622-A Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2009-03-18 CN disclosed
CN-101384586-A PI-3 kinase inhibitors and methods of use thereof NOVARTIS AG (CH) 2009-03-11 CN disclosed
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
EP-1984350-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 WO disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO 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-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 KDM4E 3762/4885PIK3CA 1017/4885MTOR 985/4885
US-11242346-B2 Mechanistic target of rapamycin signaling pathway inhibitors and therapeutic applications thereof MTOR, RPTOR, RICTOR KDM4E 2910/4885PIK3CA 20/4885MTOR 1/4885
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A KDM4E 3148/4885PIK3CA 5/4885MTOR 64/4885
US-20230242494-A1 MALONITRILE DERIVATIVES MAL2, ME1, C5 KDM4E 3238/4885PIK3CA 3369/4885MTOR 2413/4885

“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.