SCHEMBL16928554

SCHEMBL16928554

Cc1ccccc1-c1nc(NCCC2CCCN2C)nc(C(Cl)(Cl)Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ ACP1 P24666 2/20 0.41
▸ 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
▸ NMT1 P30419 2/20 0.39
▸ RAD52 P43351 2/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ LCK P06239 2/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ CAMK2D Q13557 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ MITF O75030 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
SCHEMBL16928548 0.88 NMT1 (0.48) HRH2HRH1HRH3ACP1CHRNB4
SCHEMBL16928011 0.87 ACP1 (0.48) HRH2HRH1HRH3ACP1NMT1
SCHEMBL16928133 0.85 CHRM3 (0.39) HRH2HRH1HRH3ACP1CHRNB2
SCHEMBL16928309 0.85 ACP1 (0.47) HRH2HRH1HRH3ACP1CHRNB1
SCHEMBL16928575 0.84 KDM1A (0.45) HRH2HRH1HRH3ACP1CHRNB1
SCHEMBL17721582 0.83 ACP1 (0.45) HRH2HRH1HRH3ACP1CHRNB4
SCHEMBL16928222 0.83 ACP1 (0.45) HRH2HRH1HRH3ACP1CHRNB1
SCHEMBL16928032 0.82 CAMK2D (0.44) HRH2HRH1HRH3ACP1CHRNB1
SCHEMBL19873467 0.82 ACP1 (0.40) HRH2HRH1HRH3ACP1NMT1
SCHEMBL16928116 0.81 CYP1A2 (0.47) NPC1RAB9ACYP1A2CYP3A4CYP2D6

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
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 HRH2 1159/4885HRH1 1253/4885HRH3 984/4885
US-20160213675-A1 Triazine Compounds and Compositions Thereof and Methods for Treating Malaria and Chemoprophylaxis HCCS, CYP3A5, COX15 HRH2 1279/4885HRH1 1274/4885HRH3 1025/4885

“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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