SCHEMBL20161742

SCHEMBL20161742

Cc1ccc2sc(-c3ccc(N)c(C)c3)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
TP53 P04637 1/20 0.71
APP P05067 11/20 0.55
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
KDM4E B2RXH2 5/20 0.55
GAA P10253 4/20 0.55
GLA P06280 3/20 0.55
ALDH1A1 P00352 4/20 0.53
NFKB1 P19838 4/20 0.53
NFKB2 Q00653 4/20 0.53
RELA Q04206 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
GFER P55789 1/20 0.53
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL7538104 0.87 APP (0.54) MAPTSMN1; SMN2TP53APPNPC1
SCHEMBL30966554 0.86 AHR (0.60) MAPTSMN1; SMN2TP53APPNPC1
SCHEMBL5691695 0.86 APP (0.53) MAPTSMN1; SMN2TP53APPNPC1
SCHEMBL3050082 0.86 AHR (0.60) MAPTSMN1; SMN2TP53APPNPC1
SCHEMBL30365100 0.86 AHR (0.60) MAPTSMN1; SMN2TP53APPNPC1
SCHEMBL12408909 0.84 MAPT (0.84) MAPTSMN1; SMN2TP53APPNPC1
SCHEMBL29406270 0.84 APP (0.69) MAPTSMN1; SMN2TP53APPNPC1
SCHEMBL1326042 0.84 APP (0.69) MAPTSMN1; SMN2TP53APPNPC1
SCHEMBL5691301 0.83 MAPT (0.50) MAPTSMN1; SMN2TP53APPNPC1
SCHEMBL8534189 0.83 MAPT (1.00) MAPTSMN1; SMN2TP53APPNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3296294-B1 COMPOUND FOR TREATING OR PREVENTING BREAST CANCER JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2020-02-12 EP disclosed
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 MAPT 4167/4885SMN1; SMN2 3153/4885TP53 30/4885
US-20180134673-A1 COMPOUNDS FOR THE TREATMENT OR PREVENTION OF BREAST CANCER BRCA1, CYP19A1, PGR MAPT 4167/4885SMN1; SMN2 3153/4885TP53 30/4885

“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.