SCHEMBL12325152

SCHEMBL12325152

O=S(=O)(c1cccc(Nc2nccc(Cl)n2)c1)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
PKM P14618 1/20 0.53
LMNA P02545 6/20 0.52
HTT P42858 4/20 0.52
MITF O75030 1/20 0.52
NOD2 Q9HC29 1/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 5/20 0.51
NPSR1 Q6W5P4 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CDK1 P06493 1/20 0.49
CDK2 P24941 1/20 0.49
MTOR P42345 1/20 0.49

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
SCHEMBL24124681 0.84 JAK3 (0.55) ALDH1A1SMN1; SMN2PKMLMNAHTT
SCHEMBL25920562 0.81 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2PKMLMNAHTT
SCHEMBL1172227 0.80 EPHB4 (0.62) NOD2CDK2JAK3
SCHEMBL12325169 0.80 ROCK1 (0.62) CDK1CDK2MTORSMG1IKBKB
SCHEMBL14650608 0.80 TNNI3K (0.50) ALDH1A1SMN1; SMN2LMNAHTTMEN1
SCHEMBL14650492 0.78 TNNI3K (0.51) ALDH1A1SMN1; SMN2LMNAHTTMEN1
SCHEMBL14650646 0.78 TNNI3K (0.48) ALDH1A1SMN1; SMN2LMNAHTTMEN1
SCHEMBL2431896 0.77 RAB9A (0.52) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL24124683 0.77 SYK (0.51) ALDH1A1SMN1; SMN2PKMLMNAHTT
SCHEMBL3458402 0.76 JAK2 (0.56) ALDH1A1PKMHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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 (2 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 ALDH1A1 1337/4885SMN1; SMN2 3957/4885PKM 1088/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 ALDH1A1 2301/4885SMN1; SMN2 4325/4885PKM 464/4885

“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.