SCHEMBL4982028

SCHEMBL4982028

O=C(/C=C/c1ccccc1)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EGFR P00533 1/20 0.40
POLB P06746 1/20 0.40
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
AR P10275 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KCNK3 O14649 1/20 0.37

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
SCHEMBL4982034 1.00 KRAS (0.42) KRASMEN1KMT2ARAB9ANPC1
SCHEMBL4980177 0.84 KCNK3 (0.49) SMN1; SMN2HRH1HRH3POLBGAA
SCHEMBL4976700 0.83 ALDH1A1 (0.55) KRASHRH1HRH3POLBME2
SCHEMBL4974572 0.79 P2RX7 (0.43) KRASSMN1; SMN2HRH1HRH3L3MBTL1
SCHEMBL4978472 0.79 HRH3 (0.40) KRASHRH1HRH3GAAKCNK3
SCHEMBL4974693 0.79 HRH3 (0.40) KRASMEN1KMT2AHRH1HRH3
SCHEMBL4081370 0.79 KDM4E (0.53) RAB9AMAPTSMN1; SMN2HRH1HRH3
SCHEMBL4978694 0.79 KDM2B (0.52) HPGDSMN1; SMN2HRH1HRH3LMNA
SCHEMBL4976392 0.79 MEN1 (0.49) MEN1KMT2AHRH1HRH3LMNA
SCHEMBL4978437 0.78 HRH1 (0.42) KRASMEN1KMT2AHRH1HRH3

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 2 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
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 KRAS 2340/4885MEN1 4419/4885KMT2A 1417/4885

“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.