SCHEMBL17777906

SCHEMBL17777906

COc1ccc(Cn2nc(-c3ccc(F)cc3)c(C(C)(C)C#N)c2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.41
KCNK3 O14649 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
NTSR1 P30989 1/20 0.39
PAX8 Q06710 1/20 0.39
TLR9 Q9NR96 1/20 0.39
CYP1A2 P05177 3/20 0.39
CASP1 P29466 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 2/20 0.39
USP2 O75604 1/20 0.39
CASP7 P55210 2/20 0.37

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
SCHEMBL17777970 0.83 MET (0.41) METKCNK3ALDH1A1KMT2AKDM4E
SCHEMBL19702817 0.81 CYP1A2 (0.41) ALDH1A1KMT2AKDM4EMAPTCYP1A2
SCHEMBL17777964 0.81 NPBWR1 (0.38) GAASMN1; SMN2
SCHEMBL17777940 0.80 KCNK3 (0.40) METKCNK3KMT2AGAAMAPT
SCHEMBL1554644 0.75 SRC (0.56) METKCNK3ALDH1A1KMT2AKDM4E
SCHEMBL17777767 0.74 KDM4E (0.38) ALDH1A1KMT2AKDM4EMAPTCYP1A2
SCHEMBL17777911 0.74 NPBWR1 (0.38) ALDH1A1KDM4EMAPT
SCHEMBL25269845 0.74 MET (0.56) METALDH1A1KMT2AKDM4ENPSR1
SCHEMBL17777923 0.72 ASIC1 (0.40) METALDH1A1KMT2AKDM4ENPSR1
SCHEMBL26178732 0.71 ALDH1A1 (0.34) ALDH1A1NPSR1HTTMAPTCCNE1

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
US-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS LTD (GB) 2023-06-15 US disclosed
EP-3221321-B1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS LTD (GB) 2021-12-15 EP disclosed
US-20170355699-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE ABBVIE INC. 2017-12-14 US disclosed
WO-2016081918-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2016-05-26 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 (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-20170355699-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS MET 1156/4885KCNK3 4151/4885ALDH1A1 1592/4885
US-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS MET 1156/4885KCNK3 4151/4885ALDH1A1 1592/4885

“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.