SCHEMBL9007474

SCHEMBL9007474

Cn1ncnc1-c1ccnnc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
KDM4A O75164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
CDH1 P12830 1/20 0.34
TCF4 P15884 1/20 0.34
TSHR P16473 1/20 0.34
APC P25054 1/20 0.34
CASP1 P29466 1/20 0.34
CTNNB1 P35222 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL9007470 0.79 GAA (0.41) KDM4ENPC1KDM4AALDH1A1ABL1
SCHEMBL8950490 0.77 ADRA1D (0.36) CYP11B2ADRA1DADRA1A
SCHEMBL9007469 0.76 CYP2A6 (0.49) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL31699338 0.73 CYP2A6 (0.44) MAPTCYP11B2
SCHEMBL822672 0.72 NR1H2 (0.47) KDM4ENPC1KDM4AALDH1A1ABL1
SCHEMBL12681432 0.70 GAA (0.42) NPC1HTTRAB9AGABRG2GABRB3
SCHEMBL21233343 0.70 CYP11B2 (0.51) KDM4ENPC1ALDH1A1POLBRAB9A
SCHEMBL21408737 0.70 SMN1; SMN2 (0.49) ALDH1A1KMT2ACYP11B2
SCHEMBL24185639 0.69 NPC1 (0.39) KDM4ENPC1KDM4AALDH1A1ABL1
SCHEMBL22130302 0.69 ALDH1A1 (0.42) KDM4ENPC1KDM4AALDH1A1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053957-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-25 US disclosed
US-20210053957-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-25 US disclosed
EP-3774779-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
CN-111836806-A Herbicidal compounds 先正达参股股份有限公司 2020-10-27 CN disclosed
WO-2019185875-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-03 WO disclosed
WO-2019185875-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-03 WO disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 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 (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-20210053957-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 KDM4E 1233/4885NPC1 3705/4885KDM4A 1277/4885
US-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 KDM4E 3990/4885NPC1 287/4885KDM4A 4059/4885

“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.