SCHEMBL13998643

SCHEMBL13998643

CC1Cc2ccc(-c3ccccc3)nc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.45
HSD11B1 P28845 1/20 0.40
ACHE P22303 2/20 0.40
ASIC3 Q9UHC3 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
CHRNA7 P36544 2/20 0.35
HTR3A P46098 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
GAK O14976 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL14385896 0.75 MEN1 (0.41) MEN1KMT2ARAB9AACHEALDH1A1
SCHEMBL9909843 0.72 HTR2A (0.38) RAB9AALDH1A1DRD2HTR2AHTR3A
SCHEMBL13998647 0.71 HTR2A (0.40) KMT2AHTR2AHTR3A
SCHEMBL16369390 0.69 MEN1 (0.45) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL3310894 0.69 MEN1 (0.45) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL11648533 0.69 KDM6B (0.45) MEN1KMT2ARAB9AHSD11B1ASIC3
SCHEMBL3222113 0.68 RAB9A (0.43) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL31598494 0.68 MEN1 (0.44) MEN1KMT2ARAB9AACHEALDH1A1
SCHEMBL28125450 0.67 ACHE (0.55) MEN1KMT2AACHEALDH1A1HTR1A
SCHEMBL11642754 0.66 CNR2 (0.42) MEN1KMT2ARAB9AASIC3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465737-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl -6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2008-12-16 US disclosed
US-7465737-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl -6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2008-12-16 US disclosed
US-20070225300-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-09-27 US disclosed
US-20070225300-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-09-27 US disclosed
US-7232827-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2007-06-19 US disclosed
US-7232827-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2007-06-19 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-20070225300-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES CDK5, CDK5R1, PSEN2 MEN1 3240/4885KMT2A 1815/4885RAB9A 1522/4885

“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.