SCHEMBL2019571

SCHEMBL2019571

Cc1cccc(-c2nc(C)cc(NC3CCCCC3)n2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
TGFBR1 P36897 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
KCNN2 Q9H2S1 1/20 0.52
KCNN3 Q9UGI6 1/20 0.52
IDH1 O75874 5/20 0.51
KDM4E B2RXH2 2/20 0.49
GPR39 O43194 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CACNA1B Q00975 2/20 0.45
APBA1 Q02410 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CDC7 O00311 1/20 0.44
NUDT1 P36639 1/20 0.43

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
SCHEMBL19686519 0.86 IDH1 (0.72) LMNAKMT2AMEN1TDP1TGFBR1
SCHEMBL13915436 0.77 ALDH1A1 (0.60) LMNAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL2904395 0.76 ACP1 (0.67) KMT2AMEN1TGFBR1CYP1A2CYP2D6
SCHEMBL19686326 0.75 IDH1 (0.71) LMNAKMT2AMEN1TDP1IDH1
SCHEMBL21144441 0.75 IDH1 (0.67) IDH1
SCHEMBL31127265 0.75 IDH1 (0.67) IDH1
SCHEMBL13838818 0.75 LMNA (0.57) LMNAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL386231 0.75 LMNA (0.61) LMNAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL13309777 0.75 LMNA (0.57) LMNAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL15470590 0.75 CCR1 (0.65) TGFBR1IDH1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2011-06-16 US claimed
EP-2066655-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-06-10 EP claimed
WO-2008028935-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-03-13 WO claimed
US-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2011-06-16 US disclosed
US-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2011-06-16 US disclosed
US-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2011-06-16 US disclosed
EP-2066655-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-06-10 EP disclosed
WO-2008028935-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-03-13 WO disclosed
WO-2008028935-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-03-13 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 (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-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS KCNJ2, KCNN2, KCNN1 LMNA 2250/4885KMT2A 1374/4885MEN1 3229/4885

“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.