SCHEMBL4172234

SCHEMBL4172234

COc1cc(NC(=N)N)ccc1N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
S1PR1 P21453 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 5/20 0.48
ALDH1A3 P47895 1/20 0.48
MAPT P10636 7/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
NPY2R P49146 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GFER P55789 2/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
AHR P35869 1/20 0.43

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
SCHEMBL4154654 0.87 SMN1; SMN2 (0.53) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL4156611 0.82 ALDH1A1 (0.50) GAAL3MBTL1ALDH1A1ALDH1A3MAPT
SCHEMBL1184403 0.77 KMT2A (0.57) GAAL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL19476848 0.74 EHMT2 (0.55) L3MBTL1
SCHEMBL17560532 0.74 MCHR1 (0.64) GAAL3MBTL1
SCHEMBL3166854 0.73 ALDH1A1 (0.59) GAAL3MBTL1ALDH1A1ALDH1A3MAPT
SCHEMBL4170782 0.73 GFER (0.62) GAAL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL17560320 0.72 GRM4 (0.51) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3182096 0.72 RAF1 (0.57) GAAS1PR1ALDH1A1MAPTMEN1
SCHEMBL1726560 0.72 PSEN1 (0.57)

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 3 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

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 GAA 1172/4885S1PR1 2258/4885L3MBTL1 3643/4885

“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.