SCHEMBL16928527

SCHEMBL16928527

CN1CCCC1CCNc1nc(-c2cccc(Cl)c2)nc(C(Cl)(Cl)Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 2/20 0.56
▸ CHRM3 P20309 9/20 0.44
▸ CAMK2D Q13557 1/20 0.43
▸ NMT1 P30419 1/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ ACKR3 P25106 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ERAP1 Q9NZ08 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
SCHEMBL19873479 0.91 ACP1 (0.45) ACP1CHRM3CAMK2DNMT1ACKR3
SCHEMBL20394092 0.90 ACP1 (0.46) ACP1CHRM3CAMK2DNMT1ACKR3
SCHEMBL16928011 0.89 ACP1 (0.48) ACP1CHRM3CAMK2DNMT1ACKR3
SCHEMBL16928205 0.89 NMT1 (0.51) ACP1CHRM3NMT1ACKR3HRH2
SCHEMBL16928032 0.88 CAMK2D (0.44) ACP1CHRM3CAMK2DNMT1ACKR3
SCHEMBL19873462 0.88 CAMK2D (0.48) ACP1CHRM3CAMK2DNMT1HRH2
SCHEMBL16928309 0.87 ACP1 (0.47) ACP1CHRM3CAMK2DNMT1ACKR3
SCHEMBL16928222 0.87 ACP1 (0.45) ACP1CAMK2DNMT1ACKR3HRH2
SCHEMBL16928575 0.84 KDM1A (0.45) ACP1CAMK2DNMT1ACKR3HRH2
SCHEMBL19873467 0.84 ACP1 (0.40) ACP1CHRM3CAMK2DNMT1ACKR3

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 7 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-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 ACP1 4253/4885CHRM3 2635/4885CAMK2D 3802/4885
US-20160213675-A1 Triazine Compounds and Compositions Thereof and Methods for Treating Malaria and Chemoprophylaxis HCCS, CYP3A5, COX15 ACP1 4108/4885CHRM3 2962/4885CAMK2D 3860/4885

“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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