SCHEMBL216125

SCHEMBL216125

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(OCCCN3CCN(C(=O)OC(C)(C)C)CC3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BACE1 P56817 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
EPHX2 P34913 3/20 0.38
TBK1 Q9UHD2 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NSD2 O96028 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
HRH4 Q9H3N8 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
SCHEMBL214594 0.97 ATM (0.41) ATMPDE3BPDE3AMAPTNPSR1
SCHEMBL213821 0.91 HRH4 (0.42) MAPTKMT2AHRH4
SCHEMBL213244 0.90 ALDH1A1 (0.38) MAPTBACE1MEN1KMT2AHRH2
SCHEMBL213924 0.90 ALDH1A1 (0.40) MAPTMEN1KMT2AHRH4
SCHEMBL214292 0.90 ATM (0.33) ATMPDE3BPDE3AMAPTNPSR1
SCHEMBL213685 0.89 ALDH1A1 (0.38) MAPTMEN1KMT2AHRH2HRH1
Hydrochloric Acid SCHEMBL213175 0.88 ITGB3 (0.38) MAPTKMT2AHRH4
SCHEMBL214630 0.88 HRH3 (0.40) MAPTKMT2AEPHX2TBK1L3MBTL1
SCHEMBL215580 0.88 DRD3 (0.38) PDE3BPDE3AMAPTMEN1KMT2A
SCHEMBL216099 0.87 MAPT (0.39) MAPTKMT2AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ATM 764/4885PDE3B 1167/4885PDE3A 1390/4885

“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.