SCHEMBL804647

SCHEMBL804647

COc1cc(C(=N)c2csc(-c3ccccc3)n2)cc(OC)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.55
ALDH1A1 P00352 1/20 0.48
ECE1 P42892 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TLR7 Q9NYK1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMPD3 Q9NY59 3/20 0.42
IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL804776 0.91 EGFR (0.65) EGFRALDH1A1HDAC1HDAC8HDAC6
SCHEMBL786706 0.85 ALDH1A1 (0.57) EGFRALDH1A1ECE1HDAC1HDAC8
SCHEMBL725033 0.79 EGFR (0.86) EGFRALDH1A1ECE1MEN1NPC1
SCHEMBL725032 0.79 EGFR (0.86) EGFRALDH1A1ECE1MEN1NPC1
SCHEMBL786637 0.79 EGFR (0.60) EGFRALDH1A1ECE1MEN1NPC1
SCHEMBL12245713 0.79 SMN1; SMN2 (0.60) EGFRALDH1A1ECE1MEN1NPC1
SCHEMBL12337139 0.76 EGFR (0.65) EGFRALDH1A1ECE1MEN1NPC1
SCHEMBL18562033 0.76 ALDH1A1 (0.56) EGFRALDH1A1ECE1HDAC1HDAC8
SCHEMBL1683687 0.76 EGFR (0.65) EGFRALDH1A1MAPTHDAC1HDAC8
SCHEMBL20850974 0.76 HDAC3 (0.67) EGFRHDAC1HDAC8HDAC6

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 US disclosed
WO-2023196632-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 WO disclosed
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2023-08-24 US disclosed
US-11648236-B2 Methods of treating coronavirus VERU INC. (US) 2023-05-16 US disclosed
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2021-10-07 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 US disclosed
US-9447049-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-09-20 US disclosed
EP-3064204-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx, Inc. (US) 2016-09-07 EP disclosed
US-9334242-B2 Compounds for treatment of cancer GTX, INC. (US) 2016-05-10 US disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
WO-2012027481-A9 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2013-10-10 WO disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 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 (13 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-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885ALDH1A1 209/4885ECE1 1668/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 EGFR 520/4885ALDH1A1 619/4885ECE1 3916/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 EGFR 520/4885ALDH1A1 619/4885ECE1 3916/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885ALDH1A1 209/4885ECE1 1668/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB EGFR 3966/4885ALDH1A1 2765/4885ECE1 3151/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 EGFR 520/4885ALDH1A1 619/4885ECE1 3916/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 EGFR 964/4885ALDH1A1 209/4885ECE1 1668/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885ALDH1A1 209/4885ECE1 1668/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB EGFR 3883/4885ALDH1A1 3603/4885ECE1 598/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885ALDH1A1 209/4885ECE1 1668/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB EGFR 3883/4885ALDH1A1 3603/4885ECE1 598/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 EGFR 520/4885ALDH1A1 619/4885ECE1 3916/4885
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB EGFR 3883/4885ALDH1A1 3603/4885ECE1 598/4885

“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.