SCHEMBL4772682

SCHEMBL4772682

CC(=O)c1c(C)nc2cccc(C)n12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
HTT P42858 1/20 0.53
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
NPC1 O15118 1/20 0.40
HSD17B10 Q99714 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL7829888 0.86 HTT (0.53) KMT2AHTTCYP1A2KDM4EALDH1A1
SCHEMBL15670580 0.85 HTT (0.51) KMT2AHTTCYP1A2KDM4EALDH1A1
SCHEMBL8377550 0.85 KMT2A (0.55) KMT2AHTTCYP1A2KDM4EALDH1A1
SCHEMBL17101127 0.81 ALDH1A1 (0.61) KMT2AHTTKDM4EALDH1A1POLB
SCHEMBL8314534 0.80 HTT (0.46) KMT2AHTTCYP1A2KDM4EALDH1A1
SCHEMBL2420773 0.74 KDM4E (0.54) KMT2AHTTKDM4EALDH1A1POLB
SCHEMBL18754397 0.74 HTT (0.58) KMT2AHTTCYP1A2KDM4EALDH1A1
SCHEMBL196599 0.72 KMT2A (1.00) KMT2AHTTKDM4EALDH1A1POLB
SCHEMBL8315301 0.72 KMT2A (1.00) KMT2AHTTKDM4EALDH1A1POLB
SCHEMBL21849002 0.71 HTT (0.51) KMT2AHTTCYP1A2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423388-B1 2-ARYLAMINO-PYRIMIDINES FOR THE TREATMENT OF GSK3-RELATED DISORDERS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-7078410-B2 2-arylamino-pyrimidines for the treatment of GSK3-related disorders ASTRAZENECA AB (SE) 2006-07-18 US disclosed
US-6855719-B1 Imidazo[1,2-A]pyridine and pyrazolo[2,3-A]pyridine derivatives ASTRAZENECA AB (SE) 2005-02-15 US disclosed
US-20040106574-A1 2-Arylamino-pyrimidines for the treatment of gsk3-related disorders ASTRAZENECA AB (SE) 2004-06-03 US disclosed
EP-1423388-A2 2-ARYLAMINO-PYRIMIDINES FOR THE TREATMENT OF GSK3-RELATED DISORDERS AstraZeneca AB (SE) 2004-06-02 EP disclosed
EP-1214318-B1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-08 EP disclosed
WO-2002066480-A2 2-ARYLAMINO-PYRIMIDINES FOR THE TREATMENT OF GSK3-RELATED DISORDERS ASTRAZENECA AB (SE) 2002-08-29 WO disclosed
EP-1214318-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001014375-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-01 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-20040106574-A1 2-Arylamino-pyrimidines for the treatment of gsk3-related disorders GSK3A, GSK3B, CKS2 KMT2A 256/4885HTT 2055/4885CYP1A2 4001/4885

“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.