SCHEMBL17048313

SCHEMBL17048313

CC(C)Nc1ccc(Br)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 1/20 0.36
KCNH3 Q9ULD8 2/20 0.36
AR P10275 2/20 0.36
MAPT P10636 3/20 0.35
HTT P42858 1/20 0.35
KDM1A O60341 2/20 0.34
KCNH2 Q12809 2/20 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
SCHEMBL18065410 0.85 IDO1 (0.40) IDO1ALDH1A1L3MBTL1MAOBMAPT
SCHEMBL6071981 0.81 ALDH1A1 (0.47) TDP1ALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL879876 0.78 CYP3A4 (0.46) IDO1TDP1ALDH1A1L3MBTL1LMNA
SCHEMBL14268251 0.78 ALDH1A1 (0.44) TDP1ALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL15828792 0.77 IDO1 (0.42) IDO1ALDH1A1TSHRMAOBMAPT
SCHEMBL17048248 0.76 TDP1 (0.40) TDP1ALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL27300529 0.76 PTGS1 (0.41) TDP1ALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL14453838 0.76 IDO1 (0.43) IDO1TDP1ALDH1A1L3MBTL1LMNA
SCHEMBL14600842 0.76 ALDH1A1 (0.45) TDP1ALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL27308978 0.76 TDP1 (0.40) TDP1ALDH1A1L3MBTL1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110815-B1 INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS JIANGSU ASCENTAGE BIOMED DEV INC (CN) 2020-02-19 EP disclosed
US-9783539-B2 Indoloquinolone compounds as anaplastic lymphoma kinase (ALK) inhibitors JIANGSU ASCENTAGE BIOMED DEVELOPMENT INC. (CN) 2017-10-10 US disclosed
US-9783539-B2 Indoloquinolone compounds as anaplastic lymphoma kinase (ALK) inhibitors JIANGSU ASCENTAGE BIOMED DEVELOPMENT INC. (CN) 2017-10-10 US disclosed
US-9783539-B2 Indoloquinolone compounds as anaplastic lymphoma kinase (ALK) inhibitors JIANGSU ASCENTAGE BIOMED DEVELOPMENT INC. (CN) 2017-10-10 US disclosed
US-20170066761-A1 INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS JIANGSU ASCENTAGE BIOMED DEVELOPMENT INC. (CN) 2017-03-09 US disclosed
US-20170066761-A1 INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS JIANGSU ASCENTAGE BIOMED DEVELOPMENT INC. (CN) 2017-03-09 US disclosed
US-20170066761-A1 INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS JIANGSU ASCENTAGE BIOMED DEVELOPMENT INC. (CN) 2017-03-09 US disclosed
EP-3110815-A1 INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS Jiangsu Ascentage Biomed Development Inc. (CN) 2017-01-04 EP disclosed
WO-2015127629-A1 INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS JIANGSU ASCENTAGE BIOMED DEVELOPMENT INC. (CN) 2015-09-03 WO disclosed
WO-2015127629-A1 INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS JIANGSU ASCENTAGE BIOMED DEVELOPMENT INC. (CN) 2015-09-03 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 (1 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-20170066761-A1 INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS ALK, BCL6, BCL6B IDO1 478/4885TDP1 1259/4885ALDH1A1 821/4885

“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.