SCHEMBL16928348

SCHEMBL16928348

CN1CCCC1CCNc1nc(-c2ccc(F)cc2)nc(C(Cl)(Cl)Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 5/20 0.39
▸ ACP1 P24666 2/20 0.39
▸ NMT1 P30419 2/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNB3 Q05901 1/20 0.39
▸ ACKR3 P25106 2/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ CAMK2D Q13557 1/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ RAD52 P43351 1/20 0.37

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
SCHEMBL19873467 0.91 ACP1 (0.40) CHRM3ACP1NMT1ACKR3HRH2
SCHEMBL16928032 0.91 CAMK2D (0.44) CHRM3ACP1NMT1CHRNB1CHRNB2
SCHEMBL16928575 0.91 KDM1A (0.45) ACP1NMT1CHRNB1CHRNB2CHRNB4
SCHEMBL16928309 0.90 ACP1 (0.47) CHRM3ACP1NMT1CHRNB1CHRNB2
SCHEMBL16928011 0.90 ACP1 (0.48) CHRM3ACP1NMT1ACKR3HRH2
SCHEMBL17721591 0.89 ACP1 (0.39) ACP1NMT1CHRNB2ACKR3HRH2
SCHEMBL16928030 0.89 CHRM3 (0.42) CHRM3ACP1NMT1ACKR3HRH2
SCHEMBL17721587 0.88 ACP1 (0.38) CHRM3ACP1NMT1ACKR3HRH2
SCHEMBL17721574 0.87 PTGS2 (0.39) ACP1NMT1ACKR3HRH2HRH1
SCHEMBL19873462 0.86 CAMK2D (0.48) CHRM3ACP1NMT1HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 CHRM3 2635/4885ACP1 4253/4885NMT1 912/4885
US-20160213675-A1 Triazine Compounds and Compositions Thereof and Methods for Treating Malaria and Chemoprophylaxis HCCS, CYP3A5, COX15 CHRM3 2962/4885ACP1 4108/4885NMT1 1382/4885

“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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