SCHEMBL2755804

SCHEMBL2755804

COC(=O)NCc1ccc(Br)cc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
TGM2 P21980 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
GRK2 P25098 1/20 0.49
HSP90AA1 P07900 1/20 0.48

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
Acetonitrile SCHEMBL7525505 0.92 TSHR (0.51) TSHRTGM2MEN1KMT2AL3MBTL1
SCHEMBL7252186 0.90 TSHR (0.69) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12745804 0.84 TSHR (0.60) TSHRTGM2MEN1KMT2AL3MBTL1
SCHEMBL3598006 0.82 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10117993 0.82 TSHR (0.61) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3598004 0.82 TSHR (0.61) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL81094 0.82 FPR3 (0.58) TGM2MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL2021427 0.81 FPR2 (0.58) MEN1KMT2AL3MBTL1SMN1; SMN2GAA
SCHEMBL3006709 0.81 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1
SCHEMBL2721206 0.81 ALDH1A1 (0.65) TSHRMEN1KMT2AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420695-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-16 US disclosed
US-8420695-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-16 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-20110112081-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-05-12 US disclosed
US-20110112081-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-05-12 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
WO-2010005841-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-14 WO disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
WO-2005063763-A1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 2005-07-14 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 (3 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-20110112081-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 TSHR 1389/4885TGM2 2260/4885MEN1 1115/4885
US-20100152196-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 TSHR 4037/4885TGM2 934/4885MEN1 2831/4885
US-20120004253-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 TSHR 4037/4885TGM2 934/4885MEN1 2831/4885

“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.