SCHEMBL22684398

SCHEMBL22684398

COc1ccc(-n2nnc(CO)c2C)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.63
MAPT P10636 5/20 0.46
POLB P06746 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TP53 P04637 2/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 1/20 0.42
EGFR P00533 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
KDR P35968 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL22831638 0.88 NOTUM (0.59) NOTUMMAPTPOLBRXFP1TP53
SCHEMBL28685629 0.87 NOTUM (0.58) NOTUMMAPTPOLBRXFP1TP53
SCHEMBL29408092 0.87 NOTUM (0.58) NOTUMMAPTPOLBRXFP1TP53
SCHEMBL22831670 0.79 TP53 (0.62) MAPTPOLBRXFP1TP53ALDH1A1
SCHEMBL23451977 0.78 NOTUM (1.00) NOTUMMAPTPOLBALDH1A1HDAC3
SCHEMBL22831636 0.77 HPGD (0.54) MAPTPOLBRXFP1TP53ALDH1A1
SCHEMBL22831567 0.77 NOTUM (0.69) NOTUMMAPTPOLBALDH1A1RAB9A
SCHEMBL22831635 0.76 NOTUM (0.47) NOTUMMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL29408102 0.74 NOTUM (0.51) NOTUMMAPTTP53ALDH1A1CYP1A2
SCHEMBL28685562 0.74 NOTUM (0.51) NOTUMMAPTTP53ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP disclosed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US disclosed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 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-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 NOTUM 1020/4885MAPT 3139/4885POLB 1975/4885

“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.