SCHEMBL6505748

SCHEMBL6505748

[CH2]C(c1ccc(Cl)cc1)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.68
CFTR P13569 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GOPC Q9HD26 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 5/20 0.45
CYP3A5 P20815 5/20 0.45
VDR P11473 1/20 0.42

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
SCHEMBL4067517 0.86 CFTR (0.65) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4198760 0.86 CFTR (0.64) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6502308 0.82 CYP19A1 (0.50) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL10674497 0.81 CYP19A1 (1.00) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2124049 0.80 IDO1 (0.56) CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL11374142 0.79 CYP19A1 (0.70) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6501455 0.78 CYP19A1 (0.68) CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL2908868 0.78 SMN1; SMN2 (0.72) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2914172 0.78 CYP19A1 (0.68) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL3832267 0.78 CYP19A1 (0.68) CYP19A1CFTRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-02-24 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-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT CYP19A1 1130/4885CFTR 3800/4885SLC6A2 4848/4885

“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.