SCHEMBL4976255

SCHEMBL4976255

CC(C)c1ccc(C(=O)N2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL3 Q96JM7 5/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
P2RX7 Q99572 3/20 0.40
KDM2B Q8NHM5 5/20 0.39
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
AKT3 Q9Y243 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
NAMPT P43490 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
SCHEMBL4978484 0.90 KDM2B (0.50) KCNK3KCNK9ALDH1A1MEN1KMT2A
SCHEMBL4978542 0.88 KDM4E (0.47) KCNK3KCNK9ALDH1A1MEN1LMNA
SCHEMBL4980177 0.88 KCNK3 (0.49) KCNK3KCNK9ALDH1A1LMNASMN1; SMN2
SCHEMBL4978458 0.87 KDM2B (0.52) KCNK3KCNK9ALDH1A1LMNAKMT2A
SCHEMBL4980362 0.83 HRH3 (0.39) KCNK3KCNK9ALDH1A1MEN1LMNA
SCHEMBL4976388 0.83 KDM2B (0.53) KCNK3KCNK9ALDH1A1MEN1LMNA
SCHEMBL4975210 0.83 KDM4E (0.44) KCNK3KCNK9ALDH1A1P2RX7HRH3
SCHEMBL4980329 0.82 KMT2A (0.43) KCNK3KCNK9ALDH1A1LMNAKMT2A
SCHEMBL4978660 0.82 HRH1 (0.42) ALDH1A1MEN1LMNAKMT2AKDM2B
SCHEMBL4976149 0.81 HPGD (0.46) KCNK3KCNK9ALDH1A1MEN1LMNA

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-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

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 KCNK3 1990/4885KCNK9 2457/4885ALDH1A1 1142/4885

“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.