SCHEMBL21772107

SCHEMBL21772107

COc1c(N)cc(C(=O)CN)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
TPMT P51580 1/20 0.45
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL29198878 0.81 TPMT (0.67) HTTTSHRAPOBEC3AAPOBEC3GNCOA1
SCHEMBL21772126 0.81 TSHR (0.42) HTTTSHRAPOBEC3AAPOBEC3GNCOA1
SCHEMBL30079619 0.80 TPMT (0.51) HTTTSHRAPOBEC3AAPOBEC3GNCOA1
SCHEMBL30079547 0.75 CA12 (0.47) HTTTSHRAPOBEC3AAPOBEC3GNCOA1
SCHEMBL29198761 0.75 CA12 (0.47) HTTTSHRAPOBEC3AAPOBEC3GNCOA1
SCHEMBL21373264 0.74 GSK3B (0.52) HTTTSHRAPOBEC3AAPOBEC3GNCOA1
SCHEMBL26810030 0.74 TPMT (0.51) HTTTSHRAPOBEC3AAPOBEC3GNCOA1
SCHEMBL6507928 0.74 ALDH1A1 (0.58) HTTTSHRAPOBEC3AAPOBEC3GTPMT
Hydrochloric Acid SCHEMBL5378576 0.73 GSK3B (0.52) HTTTSHRAPOBEC3AAPOBEC3GMAPT
Hydrochloric Acid SCHEMBL5419382 0.73 ALDH1A1 (0.57) HTTTSHRAPOBEC3AAPOBEC3GTPMT

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-3643714-B1 4,5-DISUBSTITUTED-1-HYDRO-PYRROLE(2,3-F)QUINOLONE-2,7,9-TRICARBOXYLATE COMPOUND AND APPLICATIONS SHANDONG YUANLITAI MEDICAL TECH CO LTD (CN) 2024-01-10 EP disclosed
US-10807979-B2 4,5-disubstituted-1H-pyrrolo(2,3-f)quinolin-2,7,9-tricarboxylate compound and use thereof SHANGDONG CAMASY BIOTECHNOLOGY CO., LTD. (CN) 2020-10-20 US disclosed
EP-3643714-A1 4,5-DISUBSTITUTED-1-HYDRO-PYRROLE(2,3-F)QUINOLONE-2,7,9-TRICARBOXYLATE COMPOUND AND APPLICATIONS Wang, Jinglin (CN) 2020-04-29 EP disclosed
US-20200071319-A1 4,5-DISUBSTITUTED-1H-PYRROLO(2,3-F)QUINOLIN-2,7,9-TRICARBOXYLATE COMPOUND AND USE THEREOF WANG, Jinglin (CN) 2020-03-05 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-10807979-B2 4,5-disubstituted-1H-pyrrolo(2,3-f)quinolin-2,7,9-tricarboxylate compound and use thereof MT-ND4L, GLUL, SDHA HTT 1295/4885TSHR 3643/4885APOBEC3A 3323/4885
US-20200071319-A1 4,5-DISUBSTITUTED-1H-PYRROLO(2,3-F)QUINOLIN-2,7,9-TRICARBOXYLATE COMPOUND AND USE THEREOF MT-ND4L, GLUL, SDHA HTT 1295/4885TSHR 3643/4885APOBEC3A 3323/4885

“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.