SCHEMBL16928147

SCHEMBL16928147

CCOC(=O)c1ccc(-c2nc(NCC3CCCCN3C)nc(C(Cl)(Cl)Cl)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 5/20 0.42
▸ CHRNA7 P36544 5/20 0.42
▸ CHRNA4 P43681 5/20 0.42
▸ CHRNA5 P30532 2/20 0.42
▸ FDFT1 P37268 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ BMP1 P13497 1/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MALT1 Q9UDY8 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL16928542 0.83 KCNH2 (0.48) KCNH2HRH3SIRT2SIRT1ALDH1A1
SCHEMBL16927920 0.81 HRH3 (0.51) KCNH2HRH3ALDH1A1RAB9ANPC1
SCHEMBL16927996 0.81 KDM4E (0.41) FDFT1ALDH1A1BMP1RAB9ASMN1; SMN2
SCHEMBL16928197 0.81 SIGMAR1 (0.40) CHRNB2ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL19873510 0.77 TRPV1 (0.36) ALDH1A1MALT1
SCHEMBL16928573 0.75 LMNA (0.40) RAB9ANPC1MAPT
SCHEMBL124262 0.75 CA12 (0.50) SIRT2SIRT1ALDH1A1POLBRAB9A
SCHEMBL16928191 0.74 SMN1; SMN2 (0.47) HRH3POLBRAB9ANPC1SMN1; SMN2
SCHEMBL16928575 0.74 KDM1A (0.45) CHRNB2HRH3
SCHEMBL16927986 0.73 LMNA (0.43) KCNH2HRH3ALDH1A1POLBRAB9A

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 CHRNB2 4717/4885CHRNA7 4529/4885CHRNA4 4775/4885
US-20160213675-A1 Triazine Compounds and Compositions Thereof and Methods for Treating Malaria and Chemoprophylaxis HCCS, CYP3A5, COX15 CHRNB2 4798/4885CHRNA7 4658/4885CHRNA4 4835/4885

“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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