SCHEMBL4196480

SCHEMBL4196480

O=S(=O)(C1CCNCC1)N1CC[CH]CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
GABRA1 P14867 1/20 0.48
TSHR P16473 1/20 0.48
GABRG2 P18507 1/20 0.48
NFKB1 P19838 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRA6 Q16445 1/20 0.48
SMYD3 Q9H7B4 2/20 0.39
KDM4E B2RXH2 1/20 0.32
BRD4 O60885 1/20 0.32
HTR6 P50406 1/20 0.31
EPHX2 P34913 2/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1380380 0.85 EPHX2 (0.38) EPHX2
SCHEMBL28947181 0.81 EPHX2 (0.43) LMNAHTR6EPHX2
SCHEMBL20599577 0.79 CHRNB2 (0.30)
SCHEMBL1161139 0.76 KDM4E (0.48) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL9936711 0.76 KDM4E (0.48) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL20535845 0.76 ABL1 (0.38) TSHREPHX2
SCHEMBL16057051 0.76 TSHR (0.48) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL4193315 0.76 SMYD3 (0.39) SMYD3BRD4HTR6MAPT
Hydrochloric Acid SCHEMBL189985 0.74 TSHR (0.47) LMNACYP3A4GABRA1TSHRGABRG2
Hydrochloric Acid SCHEMBL4905850 0.74 TSHR (0.47) LMNACYP3A4GABRA1TSHRGABRG2

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 LMNA 2945/4885CYP3A4 2161/4885GABRA1 4342/4885

“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.