SCHEMBL2012865

SCHEMBL2012865

Nc1nc(N)c2c(n1)[nH]c1cccc(-c3cccs3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 7/20 0.51
EGFR P00533 7/20 0.51
PDGFRB P09619 5/20 0.51
KDR P35968 4/20 0.51
FLT3 P36888 2/20 0.51
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
DHFR P00374 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ATM Q13315 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL12620147 0.77 TYMS (0.61) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL17500020 0.75 EGFR (0.59) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL12391891 0.75 EGFR (0.63) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL28590262 0.69 IMPDH2 (0.47) GAANPC1RAB9AALDH1A1HPGD
SCHEMBL1923985 0.68 EGFR (0.63) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL29377583 0.68 TYMS (1.00) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL17528544 0.68 EGFR (0.60) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL1997367 0.68 TYMS (1.00) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL1994777 0.68 TYMS (1.00) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL17528545 0.68 TYMS (0.57) TYMSEGFRPDGFRBKDRFLT3

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-10654858-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2020-05-19 US disclosed
US-20190211019-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2019-07-11 US disclosed
US-10208051-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2019-02-19 US disclosed
US-20180162863-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2018-06-14 US disclosed
US-9896455-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-02-20 US disclosed
US-20160355520-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST 2016-12-08 US disclosed
US-8871776-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2014-10-28 US disclosed
US-20130102623-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST 2013-04-25 US disclosed
US-8314114-B2 Tricyclic compounds having cytostatic and/or cytoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2012-11-20 US disclosed
US-20110207757-A1 Tricyclic Compounds Having Cytostatic and/or Cytoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-08-25 US disclosed
US-7960400-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-06-14 US disclosed
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2009-03-05 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 (8 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-20180162863-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS TYMS 3/4885EGFR 334/4885PDGFRB 586/4885
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS TYMS 3/4885EGFR 334/4885PDGFRB 586/4885
US-20160355520-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DHFR, TK1, TYMS TYMS 3/4885EGFR 334/4885PDGFRB 586/4885
US-10208051-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DHFR, TK1, TYMS TYMS 3/4885EGFR 334/4885PDGFRB 586/4885
US-20130102623-A1 Tricyclic Compounds Having Cytostatic and/or Cytotoxic Activity and Methods of Use Thereof DHFR, TK1, TYMS TYMS 3/4885EGFR 334/4885PDGFRB 586/4885
US-20190211019-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS TYMS 3/4885EGFR 334/4885PDGFRB 586/4885
US-20110207757-A1 Tricyclic Compounds Having Cytostatic and/or Cytoxic Activity and Methods of Use Thereof DHFR, TK1, TK2 TYMS 4/4885EGFR 327/4885PDGFRB 606/4885
US-10654858-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DHFR, TK1, TYMS TYMS 3/4885EGFR 334/4885PDGFRB 586/4885

“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.