SCHEMBL4166402

SCHEMBL4166402

N=C(N)Nc1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.61
MAPT P10636 8/20 0.61
KMT2A Q03164 8/20 0.61
LMNA P02545 7/20 0.61
MEN1 O00255 7/20 0.61
HTT P42858 6/20 0.61
MAPK1 P28482 2/20 0.61
RAB9A P51151 8/20 0.60
TSHR P16473 2/20 0.60
NPC1 O15118 7/20 0.58
ALDH1A1 P00352 6/20 0.58
HPGD P15428 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TP53 P04637 3/20 0.57
GAA P10253 1/20 0.55
POLB P06746 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MCL1 Q07820 1/20 0.54

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
Bicarbonate SCHEMBL3549019 0.95 KMT2A (0.62) SMN1; SMN2MAPTKMT2ALMNAMEN1
SCHEMBL27674823 0.84 HTT (0.59) SMN1; SMN2MAPTKMT2ALMNAMEN1
SCHEMBL4173591 0.84 MAPT (0.47) SMN1; SMN2MAPTKMT2ALMNAMEN1
SCHEMBL4150725 0.83 NPC1 (0.56) SMN1; SMN2MAPTKMT2ALMNAMEN1
SCHEMBL4164690 0.82 MAPT (0.47) SMN1; SMN2MAPTKMT2ALMNAMEN1
SCHEMBL4162412 0.82 ALDH1A1 (0.51) SMN1; SMN2MAPTKMT2ALMNAMEN1
SCHEMBL3549023 0.82 MAPT (0.60) SMN1; SMN2MAPTKMT2ALMNAMEN1
SCHEMBL4161854 0.82 MAPT (0.45) SMN1; SMN2MAPTKMT2ALMNAMEN1
SCHEMBL4154654 0.81 SMN1; SMN2 (0.53) SMN1; SMN2MAPTKMT2ALMNAMEN1
Bicarbonate SCHEMBL3548870 0.80 HTT (0.61) SMN1; SMN2MAPTKMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 WO disclosed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 SMN1; SMN2 2335/4885MAPT 2054/4885KMT2A 1239/4885

“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.