SCHEMBL4170567

SCHEMBL4170567

COc1ccc(NC(=N)N)cc1CN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
ACHE P22303 1/20 0.47
CNR2 P34972 1/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL4159971 0.83 CTSB (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1MAPK1
Hydrochloric Acid SCHEMBL7971724 0.80 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KMT2AHTTMEN1
SCHEMBL922423 0.77 HTT (0.55) SMN1; SMN2ALDH1A1KMT2AHTTMEN1
SCHEMBL4154654 0.77 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KMT2AHTTMEN1
Hydrochloric Acid SCHEMBL7562401 0.76 HTT (0.53) SMN1; SMN2ALDH1A1KMT2AHTTMEN1
SCHEMBL3975661 0.75 HRH3 (0.59) SMN1; SMN2KMT2AHTTMEN1MAPK1
SCHEMBL334535 0.75 L3MBTL1 (0.74) SMN1; SMN2ALDH1A1KMT2AHTTMEN1
SCHEMBL922812 0.75 KMT2A (0.45) SMN1; SMN2ALDH1A1KMT2AHTTMEN1
SCHEMBL921506 0.74 KMT2A (0.42) SMN1; SMN2ALDH1A1KMT2AHTTMEN1
SCHEMBL16400206 0.74 KDM4E (0.74) SMN1; SMN2ALDH1A1KMT2AHTTMEN1

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 SMN1; SMN2 2335/4885ALDH1A1 2743/4885KMT2A 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.