SCHEMBL17620570

SCHEMBL17620570

Cc1cccn2cc(-c3ccccc3N)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
KDM4E B2RXH2 7/20 0.55
HSD17B10 Q99714 4/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CHEK1 O14757 1/20 0.39
NPC1 O15118 7/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
GAA P10253 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35

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
SCHEMBL3896610 0.78 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10HRH3NPC1
SCHEMBL17620588 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10HRH3NPC1
SCHEMBL22449463 0.74 IDO1 (0.41) ALDH1A1KDM4EHSD17B10CHEK1NPC1
SCHEMBL17620577 0.73 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HRH3NPC1
SCHEMBL13162761 0.72 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10HRH3NPC1
SCHEMBL6634451 0.71 KDM4E (0.71) ALDH1A1KDM4EHSD17B10HRH3NPC1
SCHEMBL7167679 0.70 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HRH3NPC1
SCHEMBL22449452 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10HRH3CHEK1
SCHEMBL6635856 0.69 KDM4E (0.68) ALDH1A1KDM4EHSD17B10HRH3NPC1
SCHEMBL23385228 0.67 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787448-B2 Indolizino [3,2-C] quinoline-based fluorescent probe SEOUL NATIONAL UNIVERSITY R & DB FOUNDATION (KR) 2020-09-29 US disclosed
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-21 US disclosed
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-21 US disclosed
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-21 US disclosed
US-9296751-B1 Indolizino[3,2-c]quinoline derivatives, pharmaceutically acceptable salt thereof, preparation method thereof and pharmaceutical composition for treatment of cystic fibrosis containing the same as active ingredient INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-03-29 US disclosed
US-9296751-B1 Indolizino[3,2-c]quinoline derivatives, pharmaceutically acceptable salt thereof, preparation method thereof and pharmaceutical composition for treatment of cystic fibrosis containing the same as active ingredient INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-03-29 US disclosed
US-9296751-B1 Indolizino[3,2-c]quinoline derivatives, pharmaceutically acceptable salt thereof, preparation method thereof and pharmaceutical composition for treatment of cystic fibrosis containing the same as active ingredient INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-03-29 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-10787448-B2 Indolizino [3,2-C] quinoline-based fluorescent probe DNA2, IRF3, DDB1 ALDH1A1 4405/4885KDM4E 4624/4885HSD17B10 4311/4885
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT CFTR, AQP3, AQP1 ALDH1A1 1709/4885KDM4E 3338/4885HSD17B10 2678/4885

“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.