SCHEMBL15033062

SCHEMBL15033062

C/C(N)=N/C(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 11/20 0.75
▸ CYP1A2 P05177 6/20 0.75
▸ SLC9A5 Q14940 6/20 0.75
▸ TSHR P16473 5/20 0.75
▸ SLC9A1 P19634 5/20 0.75
▸ ALDH1A1 P00352 4/20 0.75
▸ CYP2D6 P10635 4/20 0.75
▸ KDM4E B2RXH2 3/20 0.75
▸ GLA P06280 3/20 0.75
▸ HPGD P15428 3/20 0.75
▸ HSD17B10 Q99714 3/20 0.75
▸ LMNA P02545 3/20 0.75
▸ CYP2C19 P33261 3/20 0.75
▸ GAA P10253 2/20 0.75
▸ FTO Q9C0B1 2/20 0.75
▸ OPRM1 P35372 2/20 0.75
▸ BLM P54132 2/20 0.75
▸ ADORA2A P29274 2/20 0.75
▸ SLC22A1 O15245 1/20 0.75
▸ HTR1A P08908 1/20 0.75

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
SCHEMBL13902826 1.00 PLAU (0.75) PLAUCYP1A2SLC9A5TSHRSLC9A1
Amiloride SCHEMBL27563 0.86 PLAU (1.00) PLAUCYP1A2SLC9A5TSHRSLC9A1
Amiloride SCHEMBL29531132 0.86 PLAU (1.00) PLAUCYP1A2SLC9A5TSHRSLC9A1
SCHEMBL9914997 0.85 PLAU (0.69) PLAUCYP1A2SLC9A5TSHRSLC9A1
SCHEMBL15096981 0.85 PLAU (0.63) PLAUCYP1A2SLC9A5TSHRSLC9A1
Amiloride SCHEMBL4155066 0.84 ALDH1A1 (1.00) PLAUCYP1A2SLC9A5TSHRSLC9A1
SCHEMBL14513863 0.83 CYP1A2 (0.81) PLAUCYP1A2SLC9A5TSHRSLC9A1
Amiloride SCHEMBL136682 0.83 PLAU (0.93) PLAUCYP1A2SLC9A5TSHRSLC9A1
SCHEMBL14153334 0.83 PLAU (0.75) PLAUCYP1A2SLC9A5TSHRSLC9A1
SCHEMBL829154 0.82 PLAU (0.69) PLAUCYP1A2SLC9A5TSHRSLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859559-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 — — US disclosed
US-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — 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 (1 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-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 PLAU 2331/4885CYP1A2 980/4885SLC9A5 39/4885

“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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