SCHEMBL4422337

SCHEMBL4422337

COc1cc(C(=NN)c2c[nH]c(C3=CCCC=C3)n2)cc(OC)c1OC

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
POLB P06746 2/20 0.31
EGFR P00533 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL4418709 0.90 POLB (0.32) CTSLCTSBPOLBEGFRKDM4E
SCHEMBL4418724 0.84 ALDH1A1 (0.37) POLBKDM4ETSHRLMNAHTT
SCHEMBL4422771 0.84 TUBB1 (0.40) POLBEGFR
SCHEMBL1683796 0.80 EGFR (0.47) EGFRTSHR
SCHEMBL1683665 0.80 MAPT (0.31) POLBEGFR
SCHEMBL3466715 0.78 EGFR (0.46) POLBEGFRMITFLMNATP53
SCHEMBL4422727 0.78 EGFR (0.46) POLBEGFRMITFLMNATP53
SCHEMBL4421791 0.78 EGFR (0.46) POLBEGFRMITFLMNATP53
SCHEMBL1683885 0.77 MEN1 (0.38) POLBMITFLMNATP53RAB9A
SCHEMBL1683712 0.74 GAA (0.46) POLBTSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 EP disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 EP disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 US disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 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 (6 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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY CTSL 2895/4885CTSB 2056/4885POLB 511/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 CTSL 4479/4885CTSB 2648/4885POLB 740/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 CTSL 4479/4885CTSB 2648/4885POLB 740/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CTSL 4479/4885CTSB 2648/4885POLB 740/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CTSL 4479/4885CTSB 2648/4885POLB 740/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CTSL 4479/4885CTSB 2648/4885POLB 740/4885

“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.