SCHEMBL31356313

SCHEMBL31356313

N#CCc1ccncc1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.37
AOC1 P19801 5/20 0.35
AOC3 Q16853 4/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
KMT2A Q03164 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL27165746 0.84 TNF (0.37) TNFAOC1AOC3LOXL2GPBAR1
SCHEMBL3670639 0.81 TNF (0.40) TNFAOC1AOC3LOXL2GPBAR1
SCHEMBL37676938 0.81 TNF (0.40) TNFAOC1AOC3LOXL2GPBAR1
SCHEMBL30915721 0.76 GAA (0.42) TNFAOC1AOC3LOXL2KMT2A
SCHEMBL31456366 0.76 AOC1 (0.39) TNFAOC1AOC3LOXL2GPBAR1
SCHEMBL29215547 0.76 GAA (0.42) TNFAOC1AOC3LOXL2KMT2A
SCHEMBL10526908 0.76 HTT (0.42) TNFAOC1AOC3LOXL2KMT2A
SCHEMBL360235 0.76 TNF (0.37) TNFAOC1AOC3LOXL2GPBAR1
SCHEMBL25673690 0.76 RXRA (0.40) TNFAOC1AOC3LOXL2GPBAR1
SCHEMBL23674611 0.74 CCNC (0.44) TNFAOC1AOC3GPBAR1KMT2A

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-12168662-B1 Pyrido[4′,3′:4,5]pyrrolo[2,3-c][2,7]naphthyridines compounds as CK2 inhibitors King Faisal University (SA) 2024-12-17 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-12168662-B1 Pyrido[4′,3′:4,5]pyrrolo[2,3-c][2,7]naphthyridines compounds as CK2 inhibitors CKS2, CDK2, PNKP TNF 615/4885AOC1 4056/4885AOC3 4146/4885

“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.