SCHEMBL2015105

SCHEMBL2015105

Cc1cc(Cl)nc(-c2cccc(Cl)n2)n1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
KMT2A Q03164 1/20 0.51
IDH1 O75874 13/20 0.44
IDH2 P48735 9/20 0.44
TGFBR1 P36897 1/20 0.41
GRM5 P41594 1/20 0.39
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL9217242 0.89 LMNA (0.58) LMNAKMT2AIDH1TGFBR1GRM5
SCHEMBL16369763 0.86 IDH1 (0.47) IDH1IDH2
SCHEMBL2014872 0.84 KMT2A (0.44) LMNAKMT2AIDH1IDH2TGFBR1
SCHEMBL8951976 0.83 LMNA (0.70) LMNAKMT2AGRM5MAPK1
SCHEMBL31127370 0.81 CCR1 (0.58) LMNAKMT2AIDH1TGFBR1GRM5
SCHEMBL2242901 0.81 CCR1 (0.58) LMNAKMT2AIDH1TGFBR1GRM5
SCHEMBL9375764 0.80 KMT2A (0.55) LMNAKMT2ATGFBR1GRM5MAPK1
SCHEMBL9369412 0.80 LMNA (0.57) LMNAKMT2AGRM5MAPK1
SCHEMBL10372073 0.79 LMNA (0.47) LMNAKMT2ATGFBR1GRM5
SCHEMBL5480168 0.79 GRM5 (0.61) LMNAKMT2AGRM5MAPK1

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-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 1374/4885IDH1 1496/4885

“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.