SCHEMBL2015212

SCHEMBL2015212

Oc1ccnc(-c2cccc(Cl)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 13/20 0.38
IDH2 P48735 9/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM5 P41594 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TGFBR1 P36897 1/20 0.35

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
SCHEMBL2016421 0.85 IDH1 (0.41) IDH1IDH2GRM5TGFBR1
SCHEMBL16369842 0.79 IDH1 (0.44) IDH1IDH2
SCHEMBL4028475 0.76 KDM4E (0.59) GRM5NPC1RAB9A
SCHEMBL14732997 0.75 KCNH2 (0.36) NPC1RAB9A
SCHEMBL27661820 0.73 ALDH1A1 (0.60) MEN1MAPTKMT2ANPC1RAB9A
SCHEMBL3408475 0.73 NPC1 (0.37) MEN1MAPTKMT2AGRM5NPC1
SCHEMBL27620339 0.73 MAPT (0.42) MEN1MAPTKMT2AGRM5NPC1
SCHEMBL30763450 0.73 NPC1 (0.37) MEN1MAPTKMT2AGRM5NPC1
SCHEMBL2014872 0.72 KMT2A (0.44) IDH1IDH2KMT2AGRM5TGFBR1
SCHEMBL30525575 0.72 NPC1 (0.40) IDH1MEN1MAPTKMT2ANPC1

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 IDH1 1496/4885IDH2 895/4885MEN1 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.