SCHEMBL17934755

SCHEMBL17934755

O=C(c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)CC4)C=C3)cc1)N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.52
▸ CYCS P99999 3/20 0.51
▸ SIGMAR1 Q99720 1/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ RIPK1 Q13546 1/20 0.46
▸ CCNC P24863 4/20 0.44
▸ CDK8 P49336 4/20 0.44
▸ ATR Q13535 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ ENPP2 Q13822 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ KDR P35968 1/20 0.42

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
SCHEMBL16923680 0.87 TOP1 (0.49) TOP1CYCSSIGMAR1MKNK1MKNK2
SCHEMBL17934753 0.84 TOP1 (0.46) TOP1CYCSATRHTR2B
SCHEMBL17934754 0.84 TOP1 (0.75) TOP1CYCSKDM4EENPP2
SCHEMBL16920383 0.82 TOP1 (0.44) TOP1CYCSKDM4EHTR2B
SCHEMBL17934752 0.82 TOP1 (0.60) TOP1CYCSENPP2
SCHEMBL15258312 0.80 TOP1 (0.81) TOP1CYCSKDM4EENPP2
SCHEMBL4413776 0.80 TOP1 (0.53) TOP1CYCSENPP2
SCHEMBL26401166 0.79 JAK3 (0.47) TOP1CYCSKDM4EKDR
SCHEMBL19888947 0.79 TOP1 (0.56) TOP1CYCSL3MBTL1ENPP2
SCHEMBL16920365 0.79 TOP1 (0.56) TOP1CYCSENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3185901-B1 COMPOUND AND METHOD PCI BIOTECH AS (NO) 2023-10-04 — — EP disclosed
US-9901636-B2 Conjugate of a photosensitiser and chitosan and uses thereof PCI BIOTECH AS (NO) 2018-02-27 — — US disclosed
US-20170252441-A1 COMPOUND AND METHOD PCI BIOTECH AS (NO) 2017-09-07 — — US disclosed
US-20160206725-A1 COMPOUND AND METHOD FOR VACCINATION AND IMMUNISATION PCI BIOTECH AS (NO) 2016-07-21 — — 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 (2 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-20170252441-A1 COMPOUND AND METHOD CSF3R, IL2, IL5 TOP1 2013/4885CYCS 2836/4885SIGMAR1 4410/4885
US-20160206725-A1 COMPOUND AND METHOD FOR VACCINATION AND IMMUNISATION TLR9, TLR3, TLR1 TOP1 3662/4885CYCS 4582/4885SIGMAR1 4464/4885

“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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