SCHEMBL5457550

SCHEMBL5457550

O=C(c1cc2ccccc2nc1-c1ccncc1)n1ccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.40
NAMPT P43490 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP2C9 P11712 3/20 0.37
DHODH Q02127 2/20 0.37
IKBKB O14920 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAP2K3 P46734 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
AR P10275 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 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
SCHEMBL5458072 0.78 DHODH (0.54) HTTKDM4EPDGFRBPDGFRAMAPK10
SCHEMBL5462961 0.77 HDAC1 (0.41) DHODHIKBKBCYP11B1CYP11B2NPC1
SCHEMBL3535265 0.77 TBXAS1 (0.42) KDM4EDHODHIKBKBCYP11B1CYP11B2
SCHEMBL30366356 0.73 FAAH (0.44) KDM4ECYP3A4ALDH1A1
SCHEMBL31388141 0.72 MGAM (0.51) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1117933 0.71 MGAM (0.55) PDGFRBPDGFRACYP11B1CYP11B2NPC1
SCHEMBL5448082 0.70 PARP1 (0.48) KDM4ECYP2C9MAP2K3NPC1CYP1A2
SCHEMBL5000164 0.70 DHODH (0.60) KDM4ECYP2C9DHODHCYP1A2CYP3A4
SCHEMBL10118094 0.70 ALDH1A1 (0.54) KDM4ECYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL3536795 0.70 DHODH (0.42) DHODHCYP1A2CYP3A4CYP2D6CYP2C19

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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 RAD51 70/4885NAMPT 1311/4885HTT 2472/4885

“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.