SCHEMBL21118310

SCHEMBL21118310

Nc1nonc1/C(=N/O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.46
TDO2 P48775 2/20 0.45
KIT P10721 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
IKBKE Q14164 1/20 0.43
GRM4 Q14833 1/20 0.42
CDK8 P49336 2/20 0.41
RIPK1 Q13546 2/20 0.41
AR P10275 1/20 0.40

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
SCHEMBL2517447 1.00 IDO1 (0.46) IDO1TDO2KITKDRFLT3
SCHEMBL2517446 1.00 IDO1 (0.46) IDO1TDO2KITKDRFLT3
SCHEMBL21118141 0.87 KDR (0.49) IDO1TDO2KDRFLT3IKBKE
SCHEMBL21118296 0.86 IDO1 (0.50) IDO1TDO2
SCHEMBL2516716 0.86 IDO1 (0.50) IDO1TDO2
SCHEMBL2516714 0.86 IDO1 (0.50) IDO1TDO2
SCHEMBL4368291 0.85 GRM4 (0.44) IDO1KITKDRFLT3GRM4
SCHEMBL4368296 0.85 GRM4 (0.44) IDO1KITKDRFLT3GRM4
SCHEMBL12054227 0.84 KDR (0.44) IDO1TDO2KITKDRFLT3
SCHEMBL149916 0.82 IDO1 (0.62) IDO1TDO2

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
US-11214554-B2 Indoleamine 2,3-dioxygenase inhibitor, method for preparation and use thereof NANJING HUAWE MEDICINE TECHNOLOGY GROUP CO., LTD. (CN) 2022-01-04 US disclosed
US-20210094924-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR, METHOD FOR PREPARATION AND USE THEREOF NANJING HUAWE MEDICINE TECHNOLOGY GROUP CO., LTD. (CN) 2021-04-01 US disclosed
WO-2019141027-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF 南京华威医药科技集团有限公司 2019-07-25 WO disclosed
US-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2019-06-06 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 (3 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-20210094924-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR, METHOD FOR PREPARATION AND USE THEREOF IDO1, IDO2, KYNU IDO1 1/4885TDO2 6/4885KIT 1123/4885
US-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF IDO1, IDO2, INMT IDO1 1/4885TDO2 5/4885KIT 354/4885
US-11214554-B2 Indoleamine 2,3-dioxygenase inhibitor, method for preparation and use thereof IDO1, IDO2, KYNU IDO1 1/4885TDO2 6/4885KIT 1129/4885

“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.