SCHEMBL214292

SCHEMBL214292

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(OCCCN3CCN(C(=O)OC(C)(C)C)C(C(N)=O)(C(N)=O)C3)ccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
MAPT P10636 6/20 0.32
HRH4 Q9H3N8 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
BACE1 P56817 1/20 0.31
DRD2 P14416 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4552339 0.92 GAA (0.34) MAPTHRH4KDM4EALDH1A1KMT2A
SCHEMBL216125 0.90 ATM (0.41) ATMMAPTHRH4NPSR1ALPL
SCHEMBL214594 0.87 ATM (0.41) ATMMAPTNPSR1ALPLALPI
SCHEMBL213244 0.86 ALDH1A1 (0.38) MAPTHRH4KDM4EALDH1A1KMT2A
SCHEMBL213821 0.86 HRH4 (0.42) MAPTHRH4KDM4EALDH1A1KMT2A
SCHEMBL213924 0.85 ALDH1A1 (0.40) MAPTHRH4KDM4EALDH1A1KMT2A
SCHEMBL213685 0.84 ALDH1A1 (0.38) MAPTHRH4KDM4EALDH1A1KMT2A
SCHEMBL214630 0.83 HRH3 (0.40) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL213175 0.83 ITGB3 (0.38) MAPTHRH4KDM4EALDH1A1KMT2A
SCHEMBL216099 0.82 MAPT (0.39) MAPTHRH4KDM4EALDH1A1KMT2A

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 2 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-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 764/4885MAPT 2138/4885HRH4 1909/4885

“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.