SCHEMBL22495923

SCHEMBL22495923

O=C1CCc2cc3nc[nH]c3cc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.42
KIF11 P52732 4/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL9377791 0.94 CA9 (0.42) CA9KIF11MAPTALDH1A1KDM4E
SCHEMBL4150642 0.85 MAPT (0.42) KIF11MAPTALDH1A1KDM4EAPEX1
SCHEMBL1150222 0.79 MAPT (0.42) KIF11MAPTALDH1A1KDM4EAPEX1
Water SCHEMBL10473604 0.77 MAPT (0.41) KIF11MAPTALDH1A1KDM4EAPEX1
SCHEMBL25313697 0.75 MAPT (0.44) MAPTALDH1A1KDM4EAPEX1RECQL
SCHEMBL15173829 0.71 CYP1A2 (0.39) KIF11MAPTALDH1A1NPC1MAPK13
SCHEMBL9379542 0.70 KIF11 (0.50) CA9KIF11MAPTALDH1A1NPC1
SCHEMBL3589727 0.70 KDM4E (0.50) MAPTALDH1A1KDM4EAPEX1RECQL
SCHEMBL29339065 0.70 MAPT (0.50) KIF11MAPTALDH1A1KDM4EAPEX1
SCHEMBL10649057 0.69 CYP11B1 (0.40) MAPTALDH1A1KDM4EAPEX1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472788-B2 Benzoimidazoles as selective inhibitors of indoleamine 2,3-dioxygenases BEIGENE, LTD. (KY) 2022-10-18 US disclosed
US-20200317638-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES BEONE MEDICINES I GMBH (CH) 2020-10-08 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-20200317638-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES IDO2, IDO1, TPH2 CA9 4039/4885KIF11 4379/4885MAPT 1854/4885
US-11472788-B2 Benzoimidazoles as selective inhibitors of indoleamine 2,3-dioxygenases IDO1, IDO2, TPH2 CA9 3552/4885KIF11 4513/4885MAPT 2112/4885

“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.