SCHEMBL28699345

SCHEMBL28699345

COc1ccc(-n2nnc(CO)c2N)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
P2RX7 Q99572 1/20 0.50
NOTUM Q6P988 1/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MAPKAPK2 P49137 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK14 Q16539 1/20 0.42
PTPN1 P18031 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL22831567 0.83 NOTUM (0.69) SMN1; SMN2P2RX7NOTUMPOLBLMNA
SCHEMBL28697965 0.81 NOTUM (0.55) SMN1; SMN2P2RX7NOTUMPOLBLMNA
SCHEMBL22831641 0.80 ALDH1A1 (0.54) SMN1; SMN2P2RX7NOTUMHTTALDH1A1
SCHEMBL22683783 0.79 P2RX7 (0.48) SMN1; SMN2P2RX7NOTUMPOLBHTT
SCHEMBL22831699 0.79 NOTUM (0.49) SMN1; SMN2P2RX7NOTUMLMNAHTT
SCHEMBL18490120 0.79 POLB (0.40) SMN1; SMN2P2RX7NOTUMPOLBLMNA
SCHEMBL1801839 0.78 RAB9A (0.49) SMN1; SMN2P2RX7POLBLMNAMAPKAPK2
SCHEMBL22831606 0.77 P2RX7 (0.49) SMN1; SMN2P2RX7NOTUMHTTALDH1A1
SCHEMBL10983009 0.75 SMN1; SMN2 (0.76) SMN1; SMN2POLBALDH1A1TP53KDM4E
SCHEMBL2238946 0.74 SMN1; SMN2 (0.53) SMN1; SMN2POLBLMNAMAPKAPK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259212-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2022-08-18 US disclosed
EP-3997083-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2022-05-18 EP disclosed
CN-114127066-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2022-03-01 CN 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-20220259212-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 SMN1; SMN2 4731/4885P2RX7 3759/4885NOTUM 1071/4885

“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.