SCHEMBL2844731

SCHEMBL2844731

CC(C)Nc1ccnc(NC(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.52
LCK P06239 1/20 0.52
CSF1R P07333 1/20 0.52
PDGFRB P09619 1/20 0.52
MAP2K2 P36507 1/20 0.52
CDK7 P50613 1/20 0.52
FLT3 P36888 1/20 0.51
HRH4 Q9H3N8 5/20 0.50
MAPK8 P45983 3/20 0.49
HTR7 P34969 6/20 0.47
PLK1 P53350 1/20 0.41
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
HTR2C P28335 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40
CHEK1 O14757 1/20 0.40
IKBKB O14920 1/20 0.40

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
SCHEMBL12411106 0.88 ABL1 (0.50) ABL1LCKCSF1RPDGFRBMAP2K2
Carbamic Acid SCHEMBL2847023 0.88 ABL1 (0.48) ABL1LCKCSF1RPDGFRBMAP2K2
SCHEMBL8002727 0.83 ABL1 (0.47) ABL1LCKCSF1RPDGFRBMAP2K2
SCHEMBL4644412 0.82 HRH4 (0.49) ABL1LCKCSF1RPDGFRBMAP2K2
SCHEMBL4645149 0.79 HTR7 (0.54) ABL1LCKCSF1RPDGFRBMAP2K2
SCHEMBL4686041 0.79 HTR7 (0.54) ABL1LCKCSF1RPDGFRBMAP2K2
SCHEMBL15357779 0.79 FLT3 (0.41) ABL1LCKCSF1RPDGFRBMAP2K2
SCHEMBL91488 0.79 HRH4 (0.50) ABL1LCKCSF1RPDGFRBMAP2K2
SCHEMBL12411116 0.79 HRH4 (0.46) ABL1LCKCSF1RPDGFRBMAP2K2
SCHEMBL14110210 0.78 MAPK1 (0.71) ABL1LCKCSF1RPDGFRBMAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269009-B2 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-7820687-B2 Pyrimidinyl sulfonamide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
EP-2231185-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS Elan Pharmaceuticals Inc. (US) 2010-09-29 EP disclosed
US-20100016345-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2010-01-21 US disclosed
US-20090312353-A1 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. 2009-12-17 US disclosed
US-7579466-B2 Pyrimidinyl sulfonamide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
WO-2009075806-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS ELAN PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
EP-1996559-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals Inc. (US) 2008-12-03 EP disclosed
US-20080058357-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2008-03-06 US disclosed
WO-2007101165-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-09-07 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 (3 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-20100016345-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, CD4 ABL1 3418/4885LCK 1399/4885CSF1R 337/4885
US-20090312353-A1 Methods and compositions for treating liquid tumors ITGB4, ITGA4, ITGB3 ABL1 1009/4885LCK 1228/4885CSF1R 983/4885
US-20080058357-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, CD4 ABL1 3418/4885LCK 1399/4885CSF1R 337/4885

“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.