SCHEMBL19780904

SCHEMBL19780904

Brc1ccc(-n2ncc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
LMNA P02545 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 1/20 0.61
GLA P06280 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
KMT2A Q03164 1/20 0.61
RELA Q04206 1/20 0.61
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NR3C1 P04150 3/20 0.45
PDE10A Q9Y233 5/20 0.43
GRM1 Q13255 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL30270004 0.84 KDM4E (0.56) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL729956 0.84 KDM4E (0.56) NPC1LMNARAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL3379409 0.82 KDM4E (0.55) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL29399064 0.81 NR3C1 (0.55) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL20603936 0.81 MGAM (0.49) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL29496849 0.81 NR3C1 (0.65) MGAMGAASIMGAM2CYP11B2
SCHEMBL1135795 0.81 NR3C1 (0.65) MGAMGAASIMGAM2CYP11B2
SCHEMBL1880811 0.81 NR3C1 (0.55) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL29496843 0.81 NPC1 (0.61) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL18289116 0.81 CYP11B2 (0.47) NPC1LMNARAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
WO-2022011338-A2 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
WO-2022011337-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
CN-108976212-A Fluorene derivative and its application in luminous organic material 北京鼎材科技有限公司 2018-12-11 CN disclosed
WO-2018011186-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-01-18 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 (4 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-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 NPC1 4872/4885LMNA 2486/4885RAB9A 3331/4885
US-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 NPC1 3533/4885LMNA 4430/4885RAB9A 2231/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 NPC1 3533/4885LMNA 4430/4885RAB9A 2231/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 NPC1 3533/4885LMNA 4430/4885RAB9A 2231/4885

“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.