SCHEMBL4206159

SCHEMBL4206159

O=C(C[C@H]1CCCNC1)N1CC[CH]CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
EPHX1 P07099 1/20 0.42
NAAA Q02083 1/20 0.41
CFD P00746 1/20 0.41
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
SLC6A12 P48065 2/20 0.41
SLC6A11 P48066 2/20 0.41
SLC6A13 Q9NSD5 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
KMT2A Q03164 1/20 0.40
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
CCR2 P41597 1/20 0.37
KCNH2 Q12809 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
SCHEMBL4202834 1.00 KDM1A (0.47) KDM1AFNTAFNTBEPHX1NAAA
SCHEMBL4202084 0.91 KDM1A (0.46) KDM1AFNTAFNTBEPHX1NAAA
SCHEMBL4206568 0.91 KDM1A (0.46) KDM1AFNTAFNTBEPHX1NAAA
SCHEMBL4191524 0.81 SMYD3 (0.45) KDM1AFNTAFNTBSLC6A1GABRA5
SCHEMBL3987956 0.80 KDM4E (0.50) EPHX1KMT2ATPSAB1TPSD1TPSG1
SCHEMBL13812406 0.74 SLC6A1 (0.50) KDM1AFNTAFNTBNAAASLC6A1
SCHEMBL4203196 0.72 KDM1A (0.41) KDM1ASLC6A1GABRA5GABRB2SLC6A12
SCHEMBL3696171 0.72 DDB1 (0.50) KDM4EALDH1A1HSD17B10
SCHEMBL3227663 0.72 EPHX1 (0.50) KDM1AEPHX1SLC6A1GABRA5GABRB2
Hydrochloric Acid SCHEMBL6037132 0.71 ALDH1A1 (0.47) KDM1ASLC6A1SLC6A11SLC6A13KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 US disclosed
CN-101500569-A HIF hydroxylase inhibitors for treatment of anemia of cancer FIBROGEN INC (US) 2009-08-05 CN disclosed
CN-101490041-A 2-heterocycloamino-4-imidazolylpyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB (SE) 2009-07-22 CN disclosed
EP-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP disclosed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 KDM1A 2627/4885FNTA 3184/4885FNTB 2251/4885

“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.