SCHEMBL12320856

SCHEMBL12320856

C=C(C)Nc1ncc(C)c(Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
LMNA P02545 5/20 0.51
MEN1 O00255 5/20 0.51
MAPT P10636 5/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 4/20 0.51
GAA P10253 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.51
EGFR P00533 4/20 0.50
BTK Q06187 4/20 0.50
JAK3 P52333 6/20 0.49
MITF O75030 1/20 0.49
NOD2 Q9HC29 1/20 0.49
JAK1 P23458 4/20 0.49
BRD4 O60885 3/20 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
SCHEMBL13868445 0.89 BRD4 (0.54) ALDH1A1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL17915964 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL17915905 0.87 KDM4E (0.54) ALDH1A1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL24124309 0.86 JAK3 (0.57) ALDH1A1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL270236 0.85 BRD4 (0.54) ALDH1A1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL301185 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL10260766 0.84 KDM4E (0.52) ALDH1A1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL270240 0.84 BRD4 (0.55) ALDH1A1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL264344 0.82 BRD4 (0.69) EGFRBTKJAK3JAK1BRD4
SCHEMBL30270574 0.81 EGFR (0.56) EGFRBTKJAK3JAK1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 ALDH1A1 3235/4885SMN1; SMN2 4746/4885LMNA 4817/4885

“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.