SCHEMBL4980273

SCHEMBL4980273

Cc1cc(C(=O)N2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)nn1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GFER P55789 1/20 0.37
KRAS P01116 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
P2RX7 Q99572 4/20 0.36
SMYD2 Q9NRG4 3/20 0.36
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 1/20 0.35
HTR2A P28223 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL14273302 0.85 P2RX7 (0.36) KMT2AMEN1KRASP2RX7KCNK3
SCHEMBL4978484 0.82 KDM2B (0.50) KMT2AMEN1ALDH1A1KDM4EP2RX7
SCHEMBL4976500 0.81 P2RX7 (0.42) PDE2AKMT2AMEN1P2RX7KCNK3
SCHEMBL4974572 0.81 P2RX7 (0.43) ALDH1A1KRASP2RX7KCNK3KCNK9
SCHEMBL4976388 0.81 KDM2B (0.53) KMT2AMEN1ALDH1A1KDM4EP2RX7
SCHEMBL4979585 0.80 KDM4E (0.39) PDE2AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4978694 0.80 KDM2B (0.52) ALDH1A1P2RX7HRH1HRH3LMNA
SCHEMBL4980177 0.80 KCNK3 (0.49) ALDH1A1KDM4EP2RX7KCNK3KCNK9
SCHEMBL4974700 0.79 TLR7 (0.40) KMT2AMEN1ALDH1A1KRASP2RX7
SCHEMBL4980362 0.79 HRH3 (0.39) KMT2AMEN1ALDH1A1KRASP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 PDE2A 2287/4885KMT2A 1417/4885MEN1 4419/4885

“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.