SCHEMBL2822274

SCHEMBL2822274

Clc1nccc(Nc2ccccn2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPK10 P53779 1/20 0.52
GFER P55789 1/20 0.52
PIM1 P11309 2/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
KLF5 Q13887 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDR P35968 2/20 0.47
IGF1R P08069 1/20 0.46

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
SCHEMBL23887607 0.86 SYK (0.42) KMT2AMEN1PIM1NPC1RAB9A
SCHEMBL1950236 0.80 KMT2A (0.64) KMT2AMEN1MAPK10GFERPIM1
SCHEMBL4897079 0.80 KMT2A (0.64) KMT2AMEN1MAPK10GFERPIM1
SCHEMBL221242 0.79 KMT2A (0.76) KMT2AMEN1MAPK10GFERNPC1
SCHEMBL29391624 0.79 KMT2A (0.76) KMT2AMEN1MAPK10GFERNPC1
SCHEMBL3988183 0.79 AURKA (0.65) KMT2AMEN1PIM1NPC1RAB9A
SCHEMBL4595845 0.79 KMT2A (0.48) KMT2AMEN1MAPK10GFERPIM1
SCHEMBL28965358 0.79 ASIC3 (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL24304970 0.79 SCN9A (0.48) PIM1NPC1RAB9AALDH1A1SYK
SCHEMBL20325387 0.78 NPC1 (0.55) KMT2AMEN1MAPK10GFERPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518078-B Aminopyridine-containing pyrimidine compound and application thereof 南方医科大学 2021-02-26 CN claimed
CN-111518078-A Aminopyridine-containing pyrimidine compound and application thereof 南方医科大学 2020-08-11 CN claimed
EP-1742634-B1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-10-27 EP disclosed
US-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 US disclosed
EP-1742634-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAgen, Incorporated (US) 2007-01-17 EP disclosed
US-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2005-12-01 US disclosed
WO-2005099711-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 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 (2 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-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators KCNJ2, KCNJ1, KCNJ11 KMT2A 908/4885MEN1 3752/4885MAPK10 1898/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT KMT2A 2974/4885MEN1 1164/4885MAPK10 4717/4885

“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.