SCHEMBL16928500

SCHEMBL16928500

CC(=O)Nc1cccc(Nc2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.54
▸ AURKA O14965 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ NEK2 P51955 1/20 0.51
▸ SYK P43405 1/20 0.49
▸ ABCB1 P08183 1/20 0.49
▸ ABCC1 P33527 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ JAK2 O60674 2/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ POLB P06746 3/20 0.48
▸ ABL1 P00519 2/20 0.47
▸ KIT P10721 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ NR4A1 P22736 1/20 0.47

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
SCHEMBL16928458 0.82 JAK2 (0.55) MAP3K5AURKAAURKBSYKABCG2
SCHEMBL3246720 0.81 POLB (0.68) MAP3K5AURKAAURKBNEK2JAK2
SCHEMBL2219871 0.81 POLB (0.72) MAP3K5AURKAAURKBNEK2JAK2
SCHEMBL12443884 0.80 MAP3K5 (0.63) MAP3K5AURKAAURKBNEK2SYK
SCHEMBL21925740 0.80 MAP3K5 (0.59) MAP3K5AURKAAURKBNEK2SYK
SCHEMBL12515414 0.78 MAP3K5 (0.58) MAP3K5AURKAAURKBNEK2SYK
SCHEMBL19873515 0.77 CAMK2D (0.44) NEK2CSNK2A1BRAF
SCHEMBL13771495 0.75 ALDH1A1 (0.64) MAP3K5AURKAAURKBNEK2ABCG2
SCHEMBL1901172 0.74 ALDH1A1 (0.76) L3MBTL1POLBNR4A1RAB9AALDH1A1
SCHEMBL3243500 0.74 MAP3K5 (0.60) MAP3K5AURKAAURKBSYKABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3351538-A1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS The United States of America, as represented by The Secretary of The Army, on behalf of Walter Reed Army Institute of Research (US) 2018-07-25 — — EP disclosed
EP-2970153-B1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS THE US SECRETARY OF THE ARMY ON BEHALF OF WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2018-02-21 — — EP disclosed
US-9700562-B2 Triazine compounds and compositions thereof and methods for treating malaria and chemoprophylaxis THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF THE WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2017-07-11 — — US disclosed
US-20160213675-A1 Triazine Compounds and Compositions Thereof and Methods for Treating Malaria and Chemoprophylaxis WALTER REED ARMY INST OF RES THE USA AS REPRESENTED BY THE SEC OF THE ARMY ON BEHALF OF THE (US) 2016-07-28 — — US disclosed
US-9334246-B2 Substituted triazines for malaria treatment and chemoprophylaxis THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF THE WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2016-05-10 — — US disclosed
US-20150210652-A1 Substituted Triazines for Malaria Treatment and Chemoprophylaxis THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE ARMY 2015-07-30 — — 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 (2 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-20150210652-A1 Substituted Triazines for Malaria Treatment and Chemoprophylaxis CYP3A5, HCCS, COX15 MAP3K5 2549/4885AURKA 2861/4885AURKB 3394/4885
US-20160213675-A1 Triazine Compounds and Compositions Thereof and Methods for Treating Malaria and Chemoprophylaxis HCCS, CYP3A5, COX15 MAP3K5 2209/4885AURKA 2850/4885AURKB 3884/4885

“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.

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