SCHEMBL117167

SCHEMBL117167

COc1cc(N)cnc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
FYN P06241 5/20 0.36
KIT P10721 1/20 0.35
NR4A1 P22736 1/20 0.34
MEN1 O00255 1/20 0.34
BRCA1 P38398 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL115432 0.81 PIK3CA (0.42) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL21446936 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EFYNPDGFRBPDGFRA
SCHEMBL2616551 0.78 FYN (0.44) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL15543726 0.77 MAPT (0.40) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL24476817 0.77 ALDH1A1 (0.41) ALDH1A1GAAMAPTKDM4EMAPK1
SCHEMBL29698205 0.77 ACHE (0.43) ALDH1A1MAPTKDM4EMAPK1MEN1
SCHEMBL4373862 0.77 ACHE (0.43) ALDH1A1MAPTKDM4EMAPK1MEN1
SCHEMBL19555271 0.75 CYP3A4 (0.45) ALDH1A1MAPTFYNPDGFRBPDGFRA
SCHEMBL2118826 0.75 ALDH1A1 (0.40) ALDH1A1GAAMAPTHTTMEN1
SCHEMBL29483025 0.75 ALDH1A1 (0.40) ALDH1A1GAAMAPTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101576-A1 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2024-03-28 US disclosed
CN-116981667-A Heterocyclic inhibitors of EGFR and/or HER2 for cancer treatment 蝎子疗法股份有限公司 2023-10-31 CN disclosed
EP-4225445-A2 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER Scorpion Therapeutics, Inc. (US) 2023-08-16 EP disclosed
WO-2022076831-A2 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
CN-102548984-A Inhibitors of PI3 kinase and / or MTOR AMGEN INC 2012-07-04 CN disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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 (3 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD ALDH1A1 4256/4885GAA 807/4885MAPT 1510/4885
US-20240101576-A1 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 ALDH1A1 2700/4885GAA 1364/4885MAPT 1090/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD ALDH1A1 4256/4885GAA 807/4885MAPT 1510/4885

“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.