SCHEMBL5906859

SCHEMBL5906859

COC(=O)[C@H](Cc1ccccc1)Nc1nccc(-c2ccc(/C=C\c3ccccc3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.47
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
TACR3 P29371 1/20 0.45
GPR142 Q7Z601 1/20 0.44
MAPK8 P45983 1/20 0.41
PIK3CG P48736 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
GRM4 Q14833 1/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
ATM Q13315 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
CAMK2D Q13557 1/20 0.40

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
SCHEMBL5906791 0.87 CLK1 (0.47) TACR3GPR142MAPK8PIK3CGCAMKK2
SCHEMBL5906787 0.87 CLK1 (0.47) TACR3GPR142MAPK8PIK3CGCAMKK2
SCHEMBL5906648 0.84 DYRK1A (0.45) TACR3GPR142MAPK8PIK3CGCAMKK2
SCHEMBL5906647 0.84 DYRK1A (0.45) TACR3GPR142MAPK8PIK3CGCAMKK2
SCHEMBL5906821 0.82 ALDH1A1 (0.47) TACR3HDAC1JAK2JAK3
SCHEMBL5906823 0.82 ALDH1A1 (0.47) TACR3HDAC1JAK2JAK3
SCHEMBL5906846 0.81 NPR3 (0.55) TACR3GPR142HDAC1HDAC6JAK2
SCHEMBL5906718 0.80 NOS2 (0.47) NOS2NOS3NOS1TACR3HDAC1
SCHEMBL5906633 0.80 NOS2 (0.47) NOS2NOS3NOS1TACR3HDAC1
SCHEMBL5906632 0.80 NOS2 (0.47) NOS2NOS3NOS1TACR3HDAC1

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-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BAYER HEALTHCARE AG (DE) 2006-04-27 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-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BPHL, HRH4, HRH2 NOS2 2103/4885NOS3 2582/4885NOS1 3240/4885

“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.