SCHEMBL5794517

SCHEMBL5794517

Cc1cnc2c(C)nn(Cc3ccccc3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 2/20 0.48
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP3 P42574 1/20 0.41
NR1H3 Q13133 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NR3C1 P04150 1/20 0.41

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
SCHEMBL5793456 0.77 L3MBTL1 (0.50) L3MBTL1KDM4EGAAPOLBKMT2A
SCHEMBL30316630 0.76 NR3C1 (0.47) L3MBTL1ALDH1A1NR3C1
SCHEMBL25205149 0.76 NR3C1 (0.47) L3MBTL1ALDH1A1NR3C1
SCHEMBL26661622 0.71 L3MBTL1 (0.48) L3MBTL1KDM4EGAAPOLBKMT2A
SCHEMBL30405969 0.71 L3MBTL1 (0.48) L3MBTL1KDM4EGAAPOLBKMT2A
SCHEMBL29050021 0.71 L3MBTL1 (0.48) L3MBTL1KDM4EGAAPOLBKMT2A
SCHEMBL30328294 0.71 ALDH1A1 (0.43) KDM4ETSHRCYP1A2CYP2C9CYP2C19
SCHEMBL14919677 0.71 RECQL (0.54) L3MBTL1KDM4EGAAKMT2AMEN1
SCHEMBL7821971 0.69 KDM4E (0.53) L3MBTL1KDM4EGAAPOLBKMT2A
SCHEMBL27244009 0.69 ADORA2A (0.41) L3MBTL1KDM4EGAAPOLBTSHR

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
EP-1675858-A2 5-ARYL-PYRAZOLO [4,3-D] PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2006-07-05 EP disclosed
US-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds NEUROGEN CORPORATION 2005-03-31 US disclosed
WO-2005028480-A2 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2005-03-31 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-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds CRHR1, HTR5A, HTR1D L3MBTL1 4407/4885KDM4E 2877/4885GAA 2860/4885

“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.