SCHEMBL215916

SCHEMBL215916

Cc1ccc(Cl)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(OCC3CCN(C(=O)OC(C)(C)C)CC3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.43
MAPT P10636 5/20 0.43
CHEK2 O96017 1/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 3/20 0.39
MAPK1 P28482 3/20 0.39
GPR55 Q9Y2T6 1/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
TOP2A P11388 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NTSR1 P30989 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL2735440 0.95 CHEK2 (0.47) NPSR1MAPTCHEK2ALPLALPI
SCHEMBL3987811 0.90 MAPT (0.36) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL213788 0.90 MAPT (0.44) NPSR1MAPTCHEK2ALPLALPI
SCHEMBL214375 0.87 ALDH1A1 (0.39) MAPTCHEK2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL214583 0.87 ALDH1A1 (0.39) MAPTCHEK2MEN1KMT2AALDH1A1
SCHEMBL214456 0.86 CHEK2 (0.44) NPSR1MAPTCHEK2ALPLALPI
SCHEMBL14222391 0.85 HRH4 (0.44) NPSR1MAPTCHEK2KMT2AALDH1A1
SCHEMBL10267512 0.85 CHEK2 (0.39) NPSR1MAPTCHEK2KMT2AALDH1A1
SCHEMBL2735418 0.84 CHEK2 (0.48) NPSR1MAPTCHEK2ALPLALPI
SCHEMBL13300426 0.84 NPSR1 (0.45) NPSR1MAPTALPLALPIALPG

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 6 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 claimed
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-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

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 NPSR1 4218/4885MAPT 2138/4885CHEK2 412/4885

“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.