SCHEMBL4158690

SCHEMBL4158690

COc1ccc(NC(=N)N)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 6/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL1184403 0.87 KMT2A (0.57) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL14496900 0.83 MAPT (0.53) KMT2AMAPTMEN1ALDH1A1CYP1A2
SCHEMBL1184803 0.83 KMT2A (0.50) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL10310245 0.81 CYP1A2 (0.46) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL1186288 0.80 POLB (0.55) KMT2AMAPTMEN1ALDH1A1CYP1A2
SCHEMBL17560320 0.78 GRM4 (0.51) KMT2AMAPTMEN1ALDH1A1KDM4E
Nitric Acid SCHEMBL6034752 0.78 ALOX5 (0.56) KMT2AMAPTMEN1ALDH1A1KDM4E
Nitric Acid SCHEMBL1185356 0.78 ALOX5 (0.56) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL5952099 0.77 ALDH1A1 (0.62) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL10886977 0.77 ALDH1A1 (0.51) KMT2AMAPTMEN1ALDH1A1KDM4E

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 KMT2A 1239/4885MAPT 2054/4885MEN1 2980/4885

“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.