SCHEMBL2999085

SCHEMBL2999085

CC(=O)Oc1cc(Br)c2c(c1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.47
ESR1 P03372 2/20 0.43
CHRM2 P08172 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GBA1 P04062 1/20 0.36
CYP19A1 P11511 1/20 0.36
GNG2 P59768 1/20 0.35

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
SCHEMBL21584052 0.90 MAPT (0.40) PGRESR1CHRM2ADORA3AR
SCHEMBL30550463 0.79 ALDH1A1 (0.39) CHRM1MEN1KMT2A
SCHEMBL2999364 0.79 ALDH1A1 (0.39) CHRM1MEN1KMT2A
SCHEMBL23731386 0.75 EGFR (0.40) CYP19A1POLB
SCHEMBL3000584 0.75 NPC1 (0.39) MAPTCYP3A4KDM4EMEN1KMT2A
SCHEMBL4371875 0.74 PTGS2 (0.40) ESR1LMNAMAPTCYP3A4KDM4E
SCHEMBL28702513 0.74 CFD (0.43) PGRESR1CHRM2ADORA3AR
SCHEMBL9261533 0.73 ALOX15 (0.56) PGRESR1CHRM2ADORA3AR
SCHEMBL34461299 0.72 PGR (0.43) PGRESR1CHRM2ADORA3AR
SCHEMBL4255144 0.71 NPC1 (0.38) MAPTCYP3A4KDM4ESMN1; SMN2GNG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024167922-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-08-15 WO disclosed
US-7825124-B2 Indolylmaleimide derivatives ALBERT RAINER 2010-11-02 US disclosed
US-7786123-B2 Indolylmaleimide derivatives ALBERT RAINER 2010-08-31 US disclosed
US-20090318463-A1 Indolylmaleimide Derivatives ALBERT RAINER 2009-12-24 US disclosed
EP-1337527-B1 INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE C INHIBITORS NOVARTIS AG (CH) 2009-10-14 EP disclosed
EP-2070921-A1 Indolylmaleimide derivatives as protein kinase c inhibitors Novartis Ag (CH) 2009-06-17 EP disclosed
US-20070191401-A1 Transplant rejection, autoimmune disease, autoimmune disease ALBERT RAINER 2007-08-16 US disclosed
US-20070184061-A1 Indolylmaleimide derivatives ALBERT RAINER 2007-08-09 US disclosed
US-20070155817-A1 Indolylmaleimide derivatives ALBERT RAINER 2007-07-05 US disclosed
US-7220774-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2007-05-22 US disclosed
US-20040053949-A1 Indolylmaleimide derivatives ALBERT RAINER (CH) 2004-03-18 US disclosed
US-6645970-B2 Preventing T-cell mediated acute or chronic inflammatory diseases or disorders, autoimmune diseases, graft rejection or cancer NOVARTIS AG (CH) 2003-11-11 US disclosed
EP-1337527-A1 INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE C INHIBITORS Novartis AG (CH) 2003-08-27 EP disclosed
US-20030069424-A1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2003-04-10 US disclosed
WO-2002038561-A1 INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE C INHIBITORS NOVARTIS AG (CH) 2002-05-16 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 (6 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-20090318463-A1 Indolylmaleimide Derivatives NFATC1, INMT, IDO1 PGR 3653/4885ESR1 4602/4885CHRM2 2814/4885
US-20070191401-A1 Transplant rejection, autoimmune disease, autoimmune disease NFATC1, HLA-DRB1, INMT PGR 2983/4885ESR1 4630/4885CHRM2 4125/4885
US-20030069424-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 PGR 3653/4885ESR1 4602/4885CHRM2 2814/4885
US-20040053949-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 PGR 3653/4885ESR1 4602/4885CHRM2 2814/4885
US-20070155817-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 PGR 3653/4885ESR1 4602/4885CHRM2 2814/4885
US-20070184061-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 PGR 3653/4885ESR1 4602/4885CHRM2 2814/4885

“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.