SCHEMBL2016910

SCHEMBL2016910

FC(F)(F)c1cc(Nc2ccccc2)nc(-c2ccccn2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
KDM4E B2RXH2 2/20 0.71
CYP1A2 P05177 4/20 0.67
ALDH1A1 P00352 4/20 0.62
KCNH2 Q12809 1/20 0.59
CYP2C9 P11712 2/20 0.57
BLM P54132 2/20 0.57
CYP2D6 P10635 1/20 0.57
GAA P10253 2/20 0.56
MDM2 Q00987 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL5477051 0.91 KMT2A (0.83) KMT2AKDM4ECYP1A2ALDH1A1KCNH2
SCHEMBL5482879 0.91 KMT2A (0.83) KMT2AKDM4ECYP1A2ALDH1A1KCNH2
SCHEMBL5486449 0.90 KMT2A (0.81) KMT2AKDM4ECYP1A2ALDH1A1KCNH2
SCHEMBL5475922 0.89 KMT2A (0.80) KMT2AKDM4ECYP1A2ALDH1A1KCNH2
SCHEMBL5479393 0.89 KMT2A (0.80) KMT2AKDM4ECYP1A2ALDH1A1KCNH2
SCHEMBL5486342 0.88 KMT2A (0.78) KMT2AKDM4ECYP1A2ALDH1A1KCNH2
SCHEMBL14492959 0.88 KMT2A (0.78) KMT2AKDM4ECYP1A2ALDH1A1KCNH2
SCHEMBL5483247 0.87 KMT2A (0.77) KMT2AKDM4ECYP1A2ALDH1A1KCNH2
SCHEMBL5479437 0.87 KMT2A (0.76) KMT2AKDM4ECYP1A2ALDH1A1KCNH2
SCHEMBL5482810 0.87 KMT2A (0.76) KMT2AKDM4ECYP1A2ALDH1A1KCNH2

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 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
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

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 KMT2A 1374/4885KDM4E 1122/4885CYP1A2 3119/4885

“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.