SCHEMBL19984997

SCHEMBL19984997

Cc1cc(-c2nc3cc(C(F)(F)F)ccc3s2)ccc1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.57
MAPT P10636 3/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
NFKB1 P19838 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
DYRK1A Q13627 1/20 0.44
APP P05067 6/20 0.44
EPHX2 P34913 1/20 0.43
SCN4A P35499 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
SCHEMBL11972973 0.90 EPHX2 (0.56) ILKMAPTTP53SMN1; SMN2KDM4E
SCHEMBL3050082 0.83 AHR (0.60) ILKMAPTTP53SMN1; SMN2KDM4E
SCHEMBL30365100 0.83 AHR (0.60) ILKMAPTTP53SMN1; SMN2KDM4E
SCHEMBL30966554 0.83 AHR (0.60) ILKMAPTTP53SMN1; SMN2KDM4E
SCHEMBL3055139 0.82 MAPT (0.69) ILKMAPTTP53SMN1; SMN2KDM4E
SCHEMBL20161742 0.82 MAPT (0.71) MAPTTP53SMN1; SMN2KDM4ENPC1
SCHEMBL7538104 0.81 APP (0.54) ILKMAPTTP53SMN1; SMN2KDM4E
SCHEMBL5691695 0.80 APP (0.53) MAPTTP53SMN1; SMN2KDM4ENPC1
SCHEMBL5691302 0.79 APP (0.48) ILKMAPTTP53SMN1; SMN2KDM4E
SCHEMBL29406270 0.78 APP (0.69) MAPTTP53SMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. 2022-10-27 US disclosed
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-04-22 US disclosed
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-04-22 US disclosed
EP-3296294-B1 COMPOUND FOR TREATING OR PREVENTING BREAST CANCER JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2020-02-12 EP disclosed
WO-2020018848-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2020-01-23 WO disclosed
WO-2020018848-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2020-01-23 WO disclosed
WO-2019018562-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-01-24 WO disclosed
WO-2019018562-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-01-24 WO 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
EP-3296294-A1 COMPOUND FOR TREATING OR PREVENTING BREAST CANCER Jiangsu Atom Bioscience And Pharmaceutical Co., Ltd (CN) 2018-03-21 EP 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 (5 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 ILK 3718/4885MAPT 4167/4885TP53 30/4885
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS AHR, MCL1, ARNT ILK 4782/4885MAPT 4819/4885TP53 1190/4885
US-20180134673-A1 COMPOUNDS FOR THE TREATMENT OR PREVENTION OF BREAST CANCER BRCA1, CYP19A1, PGR ILK 3718/4885MAPT 4167/4885TP53 30/4885
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS AHR, ARNT, RXRB ILK 4872/4885MAPT 4185/4885TP53 1986/4885
US-11548867-B2 Amido compounds as AhR modulators AHR, ARNT, RXRB ILK 4872/4885MAPT 4185/4885TP53 1986/4885

“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.