SCHEMBL6501455

SCHEMBL6501455

[CH2]C(c1ccncc1)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.68
AKT1 P31749 5/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GCGR P47871 1/20 0.41
FFAR2 O15552 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3535353 0.85 TSHR (0.50) CYP19A1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL8463112 0.85 SLC6A2 (0.55) CYP19A1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL11538836 0.81 CYP19A1 (1.00) CYP19A1AKT1SLC6A2SLC6A4SLC6A3
SCHEMBL2909600 0.79 CYP19A1 (0.71) CYP19A1AKT1GCGRFFAR2TSHR
SCHEMBL11535640 0.78 CYP19A1 (0.83) CYP19A1AKT1SLC6A2SLC6A4SLC6A3
SCHEMBL2124049 0.78 IDO1 (0.56) CYP19A1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL4076934 0.78 SLC6A3 (0.68) CYP19A1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL6505748 0.78 CYP19A1 (0.68) CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL6508386 0.78 SLC6A2 (0.45) CYP19A1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL12204722 0.77 CYP19A1 (0.68) CYP19A1AKT1GCGRFFAR2TSHR

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 1130/4885AKT1 2315/4885SLC6A2 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.