SCHEMBL6325015

SCHEMBL6325015

CC(=O)C1(Nc2cc3ccnc(NCc4cc(C#N)ccc4OCc4ccccc4)c3cc2C)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 15/20 0.40
CD274 Q9NZQ7 15/20 0.40
MRGPRX4 Q96LA9 3/20 0.39
PPIA P62937 1/20 0.37
PTGER1 P34995 1/20 0.36

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
SCHEMBL6321533 0.82 MRGPRX4 (0.37) PDCD1CD274MRGPRX4PPIAPTGER1
SCHEMBL6321536 0.79 MRGPRX4 (0.38) PDCD1CD274MRGPRX4PPIAPTGER1
SCHEMBL6324682 0.75 SLC6A9 (0.43) PPIA
SCHEMBL6332087 0.71 CDK1 (0.50) MRGPRX4
SCHEMBL6554457 0.69 CTSL (0.39) PDCD1CD274MRGPRX4PTGER1
SCHEMBL6321686 0.67 CDK1 (0.44) MRGPRX4
SCHEMBL6326969 0.66 CDK8 (0.46)
SCHEMBL8167961 0.65 MRGPRX4 (0.55) PDCD1CD274MRGPRX4
SCHEMBL6554509 0.64 EPHX2 (0.46) MRGPRX4
SCHEMBL1978691 0.64 MAOB (0.55) PDCD1CD274MRGPRX4PPIAPTGER1

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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 PDCD1 2405/4885CD274 3131/4885MRGPRX4 822/4885

“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.