SCHEMBL16923680

SCHEMBL16923680

Nn1c2c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccc(C(=O)N6CCNCC6)cc5)c1CC2)C=C4)C=C3

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.49
▸ CYCS P99999 3/20 0.48
▸ MKNK2 Q9HBH9 2/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.45
▸ RIPK1 Q13546 1/20 0.44
▸ ATR Q13535 5/20 0.44
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ CCNC P24863 2/20 0.42
▸ CDK8 P49336 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTR2B P41595 1/20 0.41

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
SCHEMBL17934755 0.87 TOP1 (0.52) TOP1CYCSMKNK2MKNK1SIGMAR1
SCHEMBL16923663 0.75 TOP1 (0.52) TOP1CYCSKDM4EHTR2B
SCHEMBL16920371 0.73 TOP1 (0.49) TOP1CYCSKDM4EHTR2B
SCHEMBL27814176 0.73 TOP1 (0.71) TOP1CYCSMKNK2MKNK1
SCHEMBL25395869 0.72 TOP1 (0.91) TOP1CYCSKDM4E
SCHEMBL16418477 0.72 TOP1 (0.91) TOP1CYCSKDM4E
SCHEMBL483511 0.72 TOP1 (0.91) TOP1CYCSKDM4E
SCHEMBL25394852 0.72 TOP1 (0.91) TOP1CYCSKDM4E
SCHEMBL29556585 0.72 TOP1 (0.91) TOP1CYCSKDM4E
SCHEMBL17934753 0.72 TOP1 (0.46) TOP1CYCSATRHTR2B

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-20150202293-A1 CONJUGATE OF A PHOTOSENSITISER AND CHITOSAN AND USES THEREOF PCI BIOTECH AS (NO) 2015-07-23 — — 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-20150202293-A1 CONJUGATE OF A PHOTOSENSITISER AND CHITOSAN AND USES THEREOF TLR3, CD47, TLR9 TOP1 2741/4885CYCS 3103/4885MKNK2 1723/4885

“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.

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