SCHEMBL4978484

SCHEMBL4978484

Cc1ccc(C(=O)N2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.50
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HRH3 Q9Y5N1 3/20 0.42
L3MBTL3 Q96JM7 6/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
P2RX7 Q99572 1/20 0.39
MBTD1 Q05BQ5 1/20 0.39
TP53BP1 Q12888 1/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL4978542 0.90 KDM4E (0.47) KCNK3KCNK9ALDH1A1HRH3L3MBTL3
SCHEMBL4980177 0.90 KCNK3 (0.49) KDM2BKCNK3KCNK9ALDH1A1HRH3
SCHEMBL4978458 0.90 KDM2B (0.52) KDM2BKCNK3KCNK9ALDH1A1HRH3
SCHEMBL4976255 0.90 KCNK3 (0.44) KDM2BKCNK3KCNK9ALDH1A1HRH3
SCHEMBL4976388 0.89 KDM2B (0.53) KDM2BKCNK3KCNK9ALDH1A1L3MBTL3
SCHEMBL4976500 0.88 P2RX7 (0.42) KDM2BKCNK3KCNK9L3MBTL3L3MBTL1
SCHEMBL4978694 0.85 KDM2B (0.52) KDM2BALDH1A1HRH3P2RX7HRH1
SCHEMBL4980329 0.85 KMT2A (0.43) KDM2BKCNK3KCNK9ALDH1A1HRH3
SCHEMBL4976149 0.84 HPGD (0.46) KCNK3KCNK9ALDH1A1HRH3MEN1
SCHEMBL4975210 0.83 KDM4E (0.44) KCNK3KCNK9ALDH1A1HRH3P2RX7

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 4 patents. 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
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 KDM2B 1937/4885KCNK3 1990/4885KCNK9 2457/4885

“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.