SCHEMBL4569770

SCHEMBL4569770

CB(O)n1cc(Cn2ccc3c(N)cccc32)c2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.34
TBXAS1 P24557 3/20 0.34
SLC2A1 P11166 2/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
IDO1 P14902 1/20 0.32
PSMB5 P28074 1/20 0.32
BRD4 O60885 1/20 0.31
PARP1 P09874 1/20 0.31
ATM Q13315 1/20 0.31
MTNR1A P48039 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
NOD2 Q9HC29 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
SCHEMBL4569772 0.84 SMN1; SMN2 (0.43) HSP90AA1BRD4NPC1RAB9A
SCHEMBL10150150 0.83 SLC2A1 (0.37) CYP19A1TBXAS1SLC2A1HSP90AA1HSP90AB1
SCHEMBL3706703 0.76 L3MBTL1 (0.41) TBXAS1BRD4ATM
SCHEMBL4569769 0.76 KDM4E (0.41) BRD4NPC1RAB9A
SCHEMBL4569768 0.74 FEN1 (0.40)
SCHEMBL3698821 0.67 L3MBTL1 (0.36) SLC2A1HSP90AA1HSP90AB1BRD4
SCHEMBL3969618 0.65 NCF1 (0.49) SLC2A1NPC1RAB9A
SCHEMBL5959744 0.65 HTR6 (0.46) CYP19A1SLC2A1
SCHEMBL4569764 0.64 KMT2A (0.45) HSP90AA1IDO1NPC1RAB9A
SCHEMBL913801 0.64 MPO (0.44) CYP19A1TBXAS1PARP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 CYP19A1 2563/4885TBXAS1 1591/4885SLC2A1 3190/4885

“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.