SCHEMBL20161415

SCHEMBL20161415

Cc1ccc(-c2nc3cc(F)ccc3s2)cc1N

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.60
ILK Q13418 1/20 0.54
APP P05067 9/20 0.53
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50
KMT2A Q03164 1/20 0.50
RELA Q04206 1/20 0.50
DYRK1A Q13627 2/20 0.46
CYP1A1 P04798 1/20 0.46

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
SCHEMBL30365100 0.89 AHR (0.60) AHRILKAPPMAPTTP53
SCHEMBL3050082 0.89 AHR (0.60) AHRILKAPPMAPTTP53
SCHEMBL30966554 0.89 AHR (0.60) AHRILKAPPMAPTTP53
SCHEMBL11188660 0.83 AHR (0.56) AHRILKAPPMAPTTP53
SCHEMBL19985005 0.83 AHR (0.59) AHRILKAPPMAPTTP53
SCHEMBL30966559 0.83 AHR (0.59) AHRILKAPPMAPTTP53
SCHEMBL30966572 0.83 AHR (0.59) AHRILKAPPMAPTTP53
SCHEMBL2240330 0.81 APP (0.65) APPMAPTTP53SMN1; SMN2KDM4E
SCHEMBL31471859 0.81 APP (0.65) APPMAPTTP53SMN1; SMN2KDM4E
SCHEMBL5691159 0.81 APP (0.77) AHRILKAPPMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005744-B2 Compounds for the treatment or prevention of breast cancer JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2018-06-26 US disclosed
US-20180134673-A1 COMPOUNDS FOR THE TREATMENT OR PREVENTION OF BREAST CANCER JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2018-05-17 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-10005744-B2 Compounds for the treatment or prevention of breast cancer BRCA1, CYP19A1, PGR AHR 442/4885ILK 3718/4885APP 4193/4885
US-20180134673-A1 COMPOUNDS FOR THE TREATMENT OR PREVENTION OF BREAST CANCER BRCA1, CYP19A1, PGR AHR 442/4885ILK 3718/4885APP 4193/4885

“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.