SCHEMBL22650224

SCHEMBL22650224

Cc1nc(-c2ccncc2)c(I)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK14 Q16539 4/20 0.38
MAPK13 O15264 3/20 0.38
MAPK12 P53778 3/20 0.38
MAPK11 Q15759 3/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
CDC7 O00311 4/20 0.36
DBF4 Q9UBU7 4/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
NTRK1 P04629 1/20 0.36
GCGR P47871 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
SCHEMBL22650293 0.82 NTRK1 (0.51) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL8472083 0.80 ALDH1A1 (0.58) ALDH1A1HPGDMAPK14MAPK13MAPK12
SCHEMBL22650223 0.79 CYP2A6 (0.49) ALDH1A1LMNACDC7DBF4CYP1A2
SCHEMBL12491028 0.77 ALDH1A1 (0.39) ALDH1A1HPGDMAPK14MAPK13MAPK12
SCHEMBL14840937 0.73 ALDH1A1 (0.38) ALDH1A1HPGDMAPK14MAPK13MAPK12
SCHEMBL13494028 0.72 CDC7 (0.63) CDC7DBF4KDM4ECCNE1CDK2
SCHEMBL22650294 0.70 KDM4E (0.51) ALDH1A1MAPTLMNAKDM4ECYP1A2
SCHEMBL22650222 0.70 MEN1 (0.45) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL12491383 0.66 TSHR (0.49) ALDH1A1HPGDMAPK14MAPTCDC7
SCHEMBL7843547 0.66 PTGS2 (0.75) ALDH1A1MAPK14MAPK11SMN1; SMN2

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-20200354576-A1 DYEING COMPOSITION, DYED PRODUCT, AND AZO COLORING AGENT FUJIFILM CORPORATION (JP) 2020-11-12 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-20200354576-A1 DYEING COMPOSITION, DYED PRODUCT, AND AZO COLORING AGENT CYP1B1, CYP1A1, NAT1 ALDH1A1 44/4885HPGD 954/4885MAPK14 2354/4885

“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.