SCHEMBL19934375

SCHEMBL19934375

C/N=C(\Cl)c1nonc1N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
AKT1 P31749 2/20 0.40
BTK Q06187 1/20 0.40
PLEKHA1 Q9HB21 1/20 0.40
IDO1 P14902 9/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.36
PKM P14618 2/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL148462 0.81 AKT1 (0.49) KMT2APOLBALDH1A1AKT1BTK
SCHEMBL18043741 0.81 AKT1 (0.49) KMT2APOLBALDH1A1AKT1BTK
Hydrochloric Acid SCHEMBL26923029 0.79 AKT1 (0.51) KMT2APOLBALDH1A1AKT1BTK
SCHEMBL20653616 0.79 AKT1 (0.40) KMT2APOLBALDH1A1AKT1BTK
Hydrochloric Acid SCHEMBL26921279 0.79 AKT1 (0.51) KMT2APOLBALDH1A1AKT1BTK
SCHEMBL22063459 0.77 KMT2A (0.56) KMT2APOLBALDH1A1AKT1BTK
SCHEMBL179213 0.71
SCHEMBL15307887 0.68 AKT1 (0.49) KMT2APOLBALDH1A1AKT1BTK
SCHEMBL12034489 0.68 AKT1 (0.49) KMT2APOLBALDH1A1AKT1BTK
SCHEMBL16706556 0.68 KMT2A (0.39) KMT2APOLBALDH1A1AKT1BTK

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-11046679-B2 Indoleamine 2,3-dioxygenase inhibitor and application NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2021-06-29 US disclosed
US-20200181131-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR AND APPLICATION NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2020-06-11 US disclosed
WO-2018044663-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-08 WO 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-11046679-B2 Indoleamine 2,3-dioxygenase inhibitor and application IDO1, IDO2, INMT KMT2A 92/4885POLB 4137/4885ALDH1A1 1320/4885
US-20200181131-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR AND APPLICATION IDO1, IDO2, INMT KMT2A 92/4885POLB 4137/4885ALDH1A1 1320/4885

“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.