SCHEMBL3520741

SCHEMBL3520741

COC(=O)c1nccn2cc(-c3ccc(F)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 3/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TMIGD3 P0DMS9 7/20 0.48
ALDH1A3 P47895 3/20 0.48
ALDH1A2 O94788 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ADORA3 P0DMS8 2/20 0.45
HPGD P15428 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
SCHEMBL3520484 0.85 ALDH1A3 (0.51) ALDH1A1RAB9AKDM4ENPC1HSD17B10
SCHEMBL3528770 0.84 ALPL (0.47) ALDH1A1RAB9AKDM4ENPC1HSD17B10
SCHEMBL1420361 0.79 EPHB4 (0.51) SYK
SCHEMBL3523137 0.78 NPC1 (0.55) ALDH1A1RAB9AKDM4ENPC1HSD17B10
SCHEMBL3523126 0.76 NPC1 (0.62) ALDH1A1RAB9AKDM4ENPC1HSD17B10
SCHEMBL18190039 0.76 NPC1 (0.57) ALDH1A1RAB9AKDM4ENPC1HSD17B10
SCHEMBL13342043 0.76 NPC1 (0.55) ALDH1A1RAB9AKDM4ENPC1HSD17B10
SCHEMBL3520105 0.73 RAB9A (0.55) ALDH1A1RAB9AKDM4ENPC1HSD17B10
SCHEMBL22290171 0.73 LMNA (0.50) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL3520141 0.72 NPC1 (0.51) ALDH1A1RAB9AKDM4ENPC1HSD17B10

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-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 ALDH1A1 1071/4885RAB9A 3128/4885KDM4E 1894/4885

“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.